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Ligand

NameCHEMBL118610
Molecular formulaC35H46N6O7
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]-methylamino]hexanoyl]amino]-4-oxobutanoic acid
Molecular weight662.788
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.2
SynonymsBDBM50092387
N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2-{[3-(1H-indol-3-yl)-2-isobutyrylamino-propionyl]-methyl-amino}-hexanoylamino)-succinamic acid
Inchi KeyBAEPLDDHZWYKGZ-DZUOILHNSA-N
Inchi IDInChI=1S/C35H46N6O7/c1-5-6-16-29(34(47)39-27(19-30(42)43)33(46)38-26(31(36)44)17-22-12-8-7-9-13-22)41(4)35(48)28(40-32(45)21(2)3)18-23-20-37-25-15-11-10-14-24(23)25/h7-15,20-21,26-29,37H,5-6,16-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)/t26-,27-,28-,29-/m0/s1
PubChem CID10604418
ChEMBLCHEMBL118610
IUPHARN/A
BindingDB50092387
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18780Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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