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Ligand

NameCHEMBL354049
Molecular formulaC33H40N4O5
IUPAC name(3R)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-aminophenyl)butanoic acid
Molecular weight572.706
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP4.8
SynonymsCHEMBL83942
(R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-(4-amino-phenyl)-butyric acid
BDBM50281737
BDBM50285624
Inchi KeyADYHBZJCWPIGJS-AUBWUTKTSA-N
Inchi IDInChI=1S/C33H40N4O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17,34H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33-/m1/s1
PubChem CID44382456
ChEMBLCHEMBL354049
IUPHARN/A
BindingDB50281737, 50285624
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3215Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
3216Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
3217Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
3218Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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