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Ligand

NameCHEMBL292856
Molecular formulaC28H36N8O3
IUPAC nameN-tert-butyl-2-[(3R,5R)-8-methyl-2-oxo-5-propan-2-yl-3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoylamino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
Molecular weight532.649
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.5
SynonymsBDBM50285020
N-tert-Butyl-2-((3R,5R)-5-isopropyl-8-methyl-2-oxo-3-{3-[3-(1H-tetrazol-5-yl)-phenyl]-ureido}-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide
Inchi KeyAGBJVABYWAWOKN-FGZHOGPDSA-N
Inchi IDInChI=1S/C28H36N8O3/c1-16(2)21-14-22(30-27(39)29-19-9-7-8-18(13-19)25-32-34-35-33-25)26(38)36(15-24(37)31-28(4,5)6)23-12-17(3)10-11-20(21)23/h7-13,16,21-22H,14-15H2,1-6H3,(H,31,37)(H2,29,30,39)(H,32,33,34,35)/t21-,22-/m1/s1
PubChem CID44300889
ChEMBLCHEMBL292856
IUPHARN/A
BindingDB50285020
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
4723Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
4724Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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