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Ligand

NameCHEMBL155008
Molecular formulaC28H27N7O2S
IUPAC name4-[[5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Molecular weight525.631
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50047814
4-{5-Butyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4H-[1,2,4]triazol-3-ylsulfanylmethyl}-benzoic acid
Inchi KeyBPJXTVAXRBARAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N7O2S/c1-2-3-8-25-29-32-28(38-18-20-11-15-22(16-12-20)27(36)37)35(25)17-19-9-13-21(14-10-19)23-6-4-5-7-24(23)26-30-33-34-31-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,36,37)(H,30,31,33,34)
PubChem CID10436877
ChEMBLCHEMBL155008
IUPHARN/A
BindingDB50047814
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29641Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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