acompound

Showing entry for [(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048423
Compound Name	[(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
Structure
Formula	C9H14N3O8P
InchiKey	UOOOPKANIPLQPU-XVFCMESISA-N
SMILES	OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1ccc(=N)nc1O
Inchi	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
IUPAC	[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular Weight	323.05
Pubchem Id	66535
Chembl Id	CHEMBL258728

Targets of Information Source

DrugBank

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
P07998	BXGT006711	Ribonuclease pancreatic	reviewed	-	RNASE1	experimental	-

PDB

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
P61823	BXGT011385	Ribonuclease pancreatic	reviewed	RNASE1	-	-	-	-	-
P00669	BXGT005610	Seminal ribonuclease	reviewed	SRN	-	27900	-	-	-

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	BXGT011385	Ribonuclease pancreatic	reviewed		RNASE1	103000	-	-	-
reviewed	BXGT005610	Seminal ribonuclease	reviewed		SRN	27900	-	-	-
reviewed	BXGT011385	Ribonuclease pancreatic	reviewed		RNASE1	20100	-	-	-
reviewed	BXGT006711	Ribonuclease pancreatic	reviewed		RNASE1	-	312000	-	-
reviewed	BXGT006711	Ribonuclease pancreatic	reviewed		RNASE1	103000	-	-	-

CHEMBL

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
P61823	BXGT011385	Ribonuclease pancreatic	reviewed	-	RNASE1	Ki	'='	103000	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	'='	70794	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	39810	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	39810	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	7943	nM
P07998	BXGT006711	Ribonuclease pancreatic	reviewed	-	RNASE1	Activity	-	-	-
P07998	BXGT006711	Ribonuclease pancreatic	reviewed	-	RNASE1	Ki	'='	103000	nM
P07998	BXGT006711	Ribonuclease pancreatic	reviewed	-	RNASE1	Ratio	'='	0	-
P00669	BXGT005610	Seminal ribonuclease	reviewed	-	SRN	Ki	'='	27900	nM
P61823	BXGT011385	Ribonuclease pancreatic	reviewed	-	RNASE1	Ki	'='	20100	nM
P07998	BXGT006711	Ribonuclease pancreatic	reviewed	-	RNASE1	Inhibition	'='	24	%
P07998	BXGT006711	Ribonuclease pancreatic	reviewed	-	RNASE1	IC50	'='	312000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01866	Heliotropium indicum	Heliotropium indicum	Medicinal Plant

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}