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Ligand

NameMLS002279973
Molecular formulaC13H16KN5O7S
IUPAC namepotassium;[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl sulfate
Molecular weight425.457
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogPNone
SynonymsSMR001318110
CHEMBL1553539
Inchi KeyBSTPAKBASXXZHO-OUTCZKRVSA-M
Inchi IDInChI=1S/C13H17N5O7S.K/c1-13(2)24-8-6(3-22-26(19,20)21)23-12(9(8)25-13)18-5-17-7-10(14)15-4-16-11(7)18;/h4-6,8-9,12H,3H2,1-2H3,(H2,14,15,16)(H,19,20,21);/q;+1/p-1/t6-,8-,9-,12-;/m1./s1
PubChem CID44143727
ChEMBLCHEMBL1553539
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31992Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
31994Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
31993Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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