acompound

Showing entry for buprenorphine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042322
Compound Name	buprenorphine
Structure
Formula	C29H41NO4
InchiKey	RMRJXGBAOAMLHD-AGMYMXDYSA-N
SMILES	CO[C@@]12CC[C@]3(C[C@@H]1[C@](C(C)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O
Inchi	InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26-,27-,28+,29+/m1/s1
IUPAC
Molecular Weight	467.3
Pubchem Id	9811785
Chembl Id

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

n.a

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

Binding DB

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	BXGT009565	Sodium-dependent serotonin transporter	reviewed		Slc6a4	>10000	-	-	-
reviewed	BXGT009729	Delta-type opioid receptor	reviewed		Oprd1	25.8	-	-	-
reviewed	BXGT009780	Kappa-type opioid receptor	reviewed		Oprk1	12.9	-	-	-
reviewed	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	4.18	-	-	-
reviewed	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	1000	-	-	-
reviewed	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	0.51	-	-	-
reviewed	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	0.42	-	-	-
reviewed	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	4.5	-	-	-
reviewed	BXGT011860	Delta-type opioid receptor (Fragment)	reviewed		OPRD1	1.6	-	-	-
reviewed	BXGT010225	Kappa-type opioid receptor	reviewed	G-protein coupled receptor	OPRK1	0.8	-	-	-
reviewed	BXGT010224	Kappa-type opioid receptor	reviewed		OPRK1	1.5	-	-	-
reviewed	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	1.5	-	-	-
reviewed	BXGT012199	Mu-type opioid receptor (Fragment)	reviewed		OPRM1	1.3	-	-	-
reviewed	BXGT011860	Delta-type opioid receptor (Fragment)	reviewed		OPRD1	1.3	-	-	-
reviewed	BXGT010224	Kappa-type opioid receptor	reviewed		OPRK1	2	-	-	-
reviewed	BXGT012199	Mu-type opioid receptor (Fragment)	reviewed		OPRM1	0.57	-	-	-
reviewed	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	-	7943.28	-	-

CHEMBL

n.a

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

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}