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Ligand

NameCHEMBL319196
Molecular formulaC28H33N3O4
IUPAC nametert-butyl N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight475.589
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50286147
[(S)-2-(4-Benzoyl-piperidin-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
Inchi KeyAKNTXIDUJIVJSN-DEOSSOPVSA-N
Inchi IDInChI=1S/C28H33N3O4/c1-28(2,3)35-27(34)30-24(17-21-18-29-23-12-8-7-11-22(21)23)26(33)31-15-13-20(14-16-31)25(32)19-9-5-4-6-10-19/h4-12,18,20,24,29H,13-17H2,1-3H3,(H,30,34)/t24-/m0/s1
PubChem CID44334033
ChEMBLCHEMBL319196
IUPHARN/A
BindingDB50286147
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
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GLASS IDNameUniProtGeneSpeciesLength
7724Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
7723Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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