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Ligand

NameCHEMBL102314
Molecular formulaC27H27NO5
IUPAC name(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Molecular weight445.515
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50119663
5-Benzo[1,3]dioxol-5-yl-2-isobutyl-7-(4-methoxy-phenyl)-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid
Inchi KeyBFGUYLRYXCFHGG-CCDWMCETSA-N
Inchi IDInChI=1S/C27H27NO5/c1-15(2)12-18-7-10-20-23(17-6-11-21-22(13-17)33-14-32-21)25(27(29)30)24(26(20)28-18)16-4-8-19(31-3)9-5-16/h4-11,13,15,23-25H,12,14H2,1-3H3,(H,29,30)/t23-,24-,25+/m0/s1
PubChem CID44334150
ChEMBLCHEMBL102314
IUPHARN/A
BindingDB50119663
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22295Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
22294Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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