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Ligand

NameCHEMBL2111654
Molecular formulaC31H34N4O5
IUPAC namebenzyl (4R)-5-(4-benzoylpiperazin-1-yl)-4-[(3-methylphenyl)carbamoylamino]-5-oxopentanoate
Molecular weight542.636
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50421364
Inchi KeyAQFOKRQZUHTMCC-HHHXNRCGSA-N
Inchi IDInChI=1S/C31H34N4O5/c1-23-9-8-14-26(21-23)32-31(39)33-27(15-16-28(36)40-22-24-10-4-2-5-11-24)30(38)35-19-17-34(18-20-35)29(37)25-12-6-3-7-13-25/h2-14,21,27H,15-20,22H2,1H3,(H2,32,33,39)/t27-/m1/s1
PubChem CID71452639
ChEMBLCHEMBL2111654
IUPHARN/A
BindingDB50421364
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
11648Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
11647Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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