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Ligand

NameCHEMBL143012
Molecular formulaC30H34N4O6
IUPAC name(3R)-3-[[(2S,5S,11bR)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carbonyl]amino]-4-phenylbutanoic acid
Molecular weight546.624
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.2
SynonymsBDBM50073723
(R)-3-[((2S,5S,11bR)-2-tert-Butoxycarbonylamino-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carbonyl)-amino]-4-phenyl-butyric acid
Inchi KeyFORFDJKYIXRELO-LDLZHSJESA-N
Inchi IDInChI=1S/C30H34N4O6/c1-30(2,3)40-29(39)33-22-16-23-26-20(19-11-7-8-12-21(19)32-26)15-24(34(23)28(22)38)27(37)31-18(14-25(35)36)13-17-9-5-4-6-10-17/h4-12,18,22-24,32H,13-16H2,1-3H3,(H,31,37)(H,33,39)(H,35,36)/t18-,22+,23-,24+/m1/s1
PubChem CID44362744
ChEMBLCHEMBL143012
IUPHARN/A
BindingDB50073723
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
83532Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
83531Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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