acompound

Showing entry for (+)-Pentazocine

General Compound Information
BXGC Id	BXGC0035865
Compound Name	(+)-Pentazocine
Structure
Formula	C19H27NO
InchiKey	VOKSWYLNZZRQPF-CCKFTAQKSA-N
SMILES	CC(=CCN1CC[C@]2([C@@H]([C@@H]1Cc1c2cc(cc1)O)C)C)C
Inchi	InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
IUPAC
Molecular Weight	285.21
Pubchem Id	12259685
Chembl Id	CHEMBL60542

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

GM4

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	SIGMAR1	-	-	-	-	-

Binding DB

50035131

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	562	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	2.1	-	-	-
reviewed	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed		Sigmar1	-	2100	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	152	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.4	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	5.4	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	36	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	2.6	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.1	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	5.6	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	1540	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.1	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	4.5	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	1.6	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	5.7	-	-	-
reviewed	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed		Sigmar1	15	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	6	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	4.2	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	-	8.2	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	-	7.6	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	1.7	-	-	-
reviewed	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed		Sigmar1	1540	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	6.1	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.6	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.05	-	-	-
reviewed	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed		Sigmar1	6	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.5	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	2.62	-	-	-
reviewed	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	1700	-	-	-
reviewed	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed		Chrm2	525	-	-	-
reviewed	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed		Chrm1	225	-	-	-
reviewed	BXGT008440	D(1A) dopamine receptor	reviewed		Drd1	>5000	-	-	-
reviewed	BXGT011367	D(2) dopamine receptor	reviewed		Drd2	>5000	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	4.4	-	-	-
reviewed	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed		Sigmar1	-	3	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	-	-	34.5	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	-	-	11.6	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	2.7	-	-	-
reviewed	BXGT015985	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed		EBP	>10000	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	2.8	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.58	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.24	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	2.2	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	2.4	-	-	-
reviewed	BXGT015985	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed		EBP	>10	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.31	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.09	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	42	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	3.16	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	-	-	2.9	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	4.1	-	-	-
reviewed	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	4.6	-	-	-

CHEMBL

CHEMBL60542

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	5	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	2	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	Ki	'='	6	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	5	nM
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	Ki	'>'	5000	nM
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	Ki	'>'	5000	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	IC50	'='	3	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	5	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	36	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	5	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Ratio	'='	0	-
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ratio	'='	497	-
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Activity	-	-	-
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	1540	nM
Q63380	BXGT016069	Transporter	unreviewed	-	NET	Ki	-	-	-
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	4	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Ratio	'='	500	-
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Bmax	'='	1120	fM mg-1
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	IC50	'='	87	nM
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	IC50	'='	87	nM
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	IC50	'='	87	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	2	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	2	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Activity	-	-	-
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	1	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	2	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	6	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	IC50	'='	2100	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Selectivity	'='	220	-
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	Ki	-	-	-
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Activity	-	-	-
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	4	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Ki	'='	1540	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	4	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Kd	'='	34	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ratio	'='	500	-
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	562	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	152	nM
Q60490	BXGT015985	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed	-	EBP	Ki	'>'	10000	nM
P23977	BXGT008936	Sodium-dependent dopamine transporter	reviewed	-	Slc6a3	Ki	-	-	-
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	Ki	'='	1700	nM
Q5U3Y7	BXGT015859	Sigma intracellular receptor 2	reviewed	-	Tmem97	Ki	-	-	-
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	IC50	'='	53	nM
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	IC50	'='	53	nM
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	IC50	'='	53	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Ki	'='	525	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	Ki	'='	651	nM
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	Ki	'='	651	nM
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	Ki	'='	651	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	IC50	'='	46	nM
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	IC50	'='	46	nM
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	IC50	'='	46	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	IC50	'='	12	nM
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	IC50	'='	12	nM
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	IC50	'='	12	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	ED50	'='	36	umol.kg-1
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	ED50	'='	36	umol.kg-1
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	ED50	'='	36	umol.kg-1
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	4	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Ki	'='	15	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Bmax	'='	41	fM mg-1
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	2	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	3	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Kd	'='	11	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ki	'='	225	nM
Q9R1M7	BXGT021417	Glutamate receptor ionotropic, NMDA 3A	reviewed	-	Grin3a	Ki	'='	4190	nM
Q8VHN2	BXGT018931	Glutamate receptor ionotropic, NMDA 3B	reviewed	-	Grin3b	Ki	'='	4190	nM
Q62645	BXGT016035	Glutamate receptor ionotropic, NMDA 2D	reviewed	-	Grin2d	Ki	'='	4190	nM
Q00961	BXGT012556	Glutamate receptor ionotropic, NMDA 2C	reviewed	-	Grin2c	Ki	'='	4190	nM
Q00960	BXGT012555	Glutamate receptor ionotropic, NMDA 2B	reviewed	-	Grin2b	Ki	'='	4190	nM
Q00959	BXGT012554	Glutamate receptor ionotropic, NMDA 2A	reviewed	-	Grin2a	Ki	'='	4190	nM
P35439	BXGT009831	Glutamate receptor ionotropic, NMDA 1	reviewed	-	Grin1	Ki	'='	4190	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Ki	'='	6	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	Ki	'='	2370	nM
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	Ki	'='	2370	nM
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	Ki	'='	2370	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Ratio	'='	0	-
P41144	BXGT010224	Kappa-type opioid receptor	reviewed	-	OPRK1	Ki	'='	75	nM
P97266	BXGT012199	Mu-type opioid receptor	reviewed	-	OPRM1	Ki	-	-	-
P41144	BXGT010224	Kappa-type opioid receptor	reviewed	-	OPRK1	Ki	-	-	-
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Inhibition	'='	35	%
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	2	nM
Q60490	BXGT015985	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed	-	EBP	Ki	'>'	10	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Inhibition	'='	4	%
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	6	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Ki	'='	12	nM
Q62666	BXGT016037	Vesicular acetylcholine transporter	reviewed	-	Slc18a3	Ki	'>'	10000	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	4	nM
P31652	BXGT009565	Sodium-dependent serotonin transporter	reviewed	-	Slc6a4	Ki	-	-	-
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Bmax	'='	601	fM mg-1
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Activity	-	-	-
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	1	nM
Q60493	BXGT015987	Zinc finger protein 664	reviewed	-	ZNF664	Ki	'='	5	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	IC50	'='	8	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	IC50	'='	7	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	6	nM
Q60492	BXGT015986	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	42	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}