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Ligand

NameCHEMBL424370
Molecular formulaC29H34N4O5
IUPAC name2-[(2S,5S)-5-benzyl-1-[(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoyl]-3-oxopiperazin-2-yl]acetic acid
Molecular weight518.614
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.2
SynonymsBDBM50284144
{(2S,5S)-5-Benzyl-1-[(S)-2-(2-1H-indol-3-yl-acetylamino)-4-methyl-pentanoyl]-3-oxo-piperazin-2-yl}-acetic acid
Inchi KeyYAZSUPVBBKIOLR-TUSQITKMSA-N
Inchi IDInChI=1S/C29H34N4O5/c1-18(2)12-24(32-26(34)14-20-16-30-23-11-7-6-10-22(20)23)29(38)33-17-21(13-19-8-4-3-5-9-19)31-28(37)25(33)15-27(35)36/h3-11,16,18,21,24-25,30H,12-15,17H2,1-2H3,(H,31,37)(H,32,34)(H,35,36)/t21-,24-,25-/m0/s1
PubChem CID44382487
ChEMBLCHEMBL424370
IUPHARN/A
BindingDB50284144
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
405707Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
405708Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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