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Ligand

NameCHEMBL345511
Molecular formulaC35H42N4O5
IUPAC name4-[[(1R)-2-[[(2R)-2-(adamantane-2-carbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
Molecular weight598.744
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.5
SynonymsBDBM50033598
N-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethyl}-succinamic acid
Inchi KeyDIEZJXWTECIOKW-ZABPBAJSSA-N
Inchi IDInChI=1S/C35H42N4O5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-33(43)32-24-14-21-13-22(16-24)17-25(32)15-21)34(44)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,44)(H,38,40)(H,39,43)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1
PubChem CID44368727
ChEMBLCHEMBL345511
IUPHARN/A
BindingDB50033598
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
60691Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
60692Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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