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Ligand

NameCHEMBL170207
Molecular formulaC28H32N4O5
IUPAC name2-[(2S,5S)-5-benzyl-1-[(2S)-2-(1H-indole-3-carbonylamino)hexanoyl]-3-oxopiperazin-2-yl]acetic acid
Molecular weight504.587
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM50284159
((2S,5S)-5-Benzyl-1-{(S)-2-[(1H-indole-3-carbonyl)-amino]-hexanoyl}-3-oxo-piperazin-2-yl)-acetic acid
Inchi KeyAAAFGBNICGQDQE-IGKWTDBASA-N
Inchi IDInChI=1S/C28H32N4O5/c1-2-3-12-23(31-26(35)21-16-29-22-13-8-7-11-20(21)22)28(37)32-17-19(14-18-9-5-4-6-10-18)30-27(36)24(32)15-25(33)34/h4-11,13,16,19,23-24,29H,2-3,12,14-15,17H2,1H3,(H,30,36)(H,31,35)(H,33,34)/t19-,23-,24-/m0/s1
PubChem CID44382709
ChEMBLCHEMBL170207
IUPHARN/A
BindingDB50284159
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
7Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
6Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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