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Ligand

NameCHEMBL101854
Molecular formulaC23H34N2O4
IUPAC nametert-butyl N-[(2S)-1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
Molecular weight402.535
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
Synonyms[(S)-1-(4-Benzoyl-piperidine-1-carbonyl)-3-methyl-butyl]-carbamic acid tert-butyl ester
BDBM50286154
Inchi KeyBVJVNUGVSGQKQC-IBGZPJMESA-N
Inchi IDInChI=1S/C23H34N2O4/c1-16(2)15-19(24-22(28)29-23(3,4)5)21(27)25-13-11-18(12-14-25)20(26)17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3,(H,24,28)/t19-/m0/s1
PubChem CID44334331
ChEMBLCHEMBL101854
IUPHARN/A
BindingDB50286154
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33808Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
33809Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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