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Ligand

NameCHEMBL298551
Molecular formulaC37H36FN5O7
IUPAC name5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight681.721
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP5.0
Synonyms5-[[(S)-2-[[6-[[(1-Adamantylmethyl)amino]carbonyl]-1H-benzimidazol-5-yl]carbonylamino]-3-(2-fluorophenyl)propionyl]amino]isophthalic acid
Inchi KeyDTIUNJKXSTZBDT-PFSRLBQRSA-N
Inchi IDInChI=1S/C37H36FN5O7/c38-28-4-2-1-3-22(28)11-31(34(46)42-25-9-23(35(47)48)8-24(10-25)36(49)50)43-33(45)27-13-30-29(40-18-41-30)12-26(27)32(44)39-17-37-14-19-5-20(15-37)7-21(6-19)16-37/h1-4,8-10,12-13,18-21,31H,5-7,11,14-17H2,(H,39,44)(H,40,41)(H,42,46)(H,43,45)(H,47,48)(H,49,50)/t19?,20?,21?,31-,37?/m0/s1
PubChem CID10842269
ChEMBLCHEMBL298551
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
68364Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
68365Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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