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Ligand

NameCHEMBL290702
Molecular formulaC45H60N8O7
IUPAC nametert-butyl N-[1-[[(2S)-1-[[5-[(1-amino-1-oxo-3-phenylpropan-2-yl)-methylamino]-5-oxopentyl]amino]-6-[(2-methylphenyl)carbamoylamino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight825.024
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP5.0
SynonymsBDBM50041637
[1-[(S)-1-{4-[(1-Carbamoyl-2-phenyl-ethyl)-methyl-carbamoyl]-butylcarbamoyl}-5-(3-o-tolyl-ureido)-pentylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi KeyAWBQJXZVEKWKLT-HLXFJAIWSA-N
Inchi IDInChI=1S/C45H60N8O7/c1-30-17-9-11-21-34(30)51-43(58)48-26-15-13-23-36(41(56)47-25-16-14-24-39(54)53(5)38(40(46)55)27-31-18-7-6-8-19-31)50-42(57)37(52-44(59)60-45(2,3)4)28-32-29-49-35-22-12-10-20-33(32)35/h6-12,17-22,29,36-38,49H,13-16,23-28H2,1-5H3,(H2,46,55)(H,47,56)(H,50,57)(H,52,59)(H2,48,51,58)/t36-,37?,38?/m0/s1
PubChem CID44287092
ChEMBLCHEMBL290702
IUPHARN/A
BindingDB50041637
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
15870Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430

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