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Ligand

NameCHEMBL345303
Molecular formulaC32H38N4O6
IUPAC name(E)-4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(2S)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobut-2-enoic acid
Molecular weight574.678
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP4.5
Synonyms3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclohexyloxycarbonylamino)-propionylamino]-1-phenyl-ethylcarbamoyl}-acrylic acid
BDBM50033599
Inchi KeyDNLNHTHACYWSIA-PTJBKORSSA-N
Inchi IDInChI=1S/C32H38N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,16-17,19,21,26-27,33H,6,9-10,15,18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/b17-16+/t21-,26-,27?,32+/m0/s1
PubChem CID44368522
ChEMBLCHEMBL345303
IUPHARN/A
BindingDBN/A
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
64479Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
64478Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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