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Ligand

NameUNII-GY9KW03PRM
Molecular formulaC34H34FN5O7
IUPAC name5-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight643.672
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP5.0
SynonymsGastrazole
5-[[(S)-2-[[6-[[(Cycloheptylmethyl)amino]carbonyl]-1H-benzimidazol-5-yl]carbonylamino]-3-(2-fluorophenyl)propionyl]amino]isophthalic acid
D09XUH
174610-98-1
GY9KW03PRM
[ Show all ]
Inchi KeyCUVGKDWFTDAHSS-LJAQVGFWSA-N
Inchi IDInChI=1S/C34H34FN5O7/c35-26-10-6-5-9-20(26)14-29(32(43)39-23-12-21(33(44)45)11-22(13-23)34(46)47)40-31(42)25-16-28-27(37-18-38-28)15-24(25)30(41)36-17-19-7-3-1-2-4-8-19/h5-6,9-13,15-16,18-19,29H,1-4,7-8,14,17H2,(H,36,41)(H,37,38)(H,39,43)(H,40,42)(H,44,45)(H,46,47)/t29-/m0/s1
PubChem CID9986662
ChEMBLCHEMBL301777
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51157Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
51156Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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