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Ligand

NameCHEMBL301261
Molecular formulaC31H34N4O5
IUPAC name3-[[(3R,5R)-1-[2-(tert-butylamino)-2-oxoethyl]-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoylamino]benzoic acid
Molecular weight542.636
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.1
SynonymsBDBM50285007
3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl]-ureido}-benzoic acid
Inchi KeyBFSMHEBYNOKMKU-JWQCQUIFSA-N
Inchi IDInChI=1S/C31H34N4O5/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-30(40)32-22-12-8-11-21(16-22)29(38)39)28(37)35(26(23)15-19)18-27(36)34-31(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H,38,39)(H2,32,33,40)/t24-,25-/m1/s1
PubChem CID44300744
ChEMBLCHEMBL301261
IUPHARN/A
BindingDB50285007
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
22600Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
22599Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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