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Ligand

NameCHEMBL58154
Molecular formulaC38H41N5O6S
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]-N-(2-methylphenyl)sulfonylbenzamide
Molecular weight695.835
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.4
SynonymsBDBM50285006
N-tert-Butyl-2-((3R,5R)-8-methyl-2-oxo-5-phenyl-3-{3-[3-(toluene-2-sulfonylaminocarbonyl)-phenyl]-ureido}-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide
Inchi KeyCSNNJXSLJWKSCD-FIRIVFDPSA-N
Inchi IDInChI=1S/C38H41N5O6S/c1-24-18-19-29-30(26-13-7-6-8-14-26)22-31(36(46)43(32(29)20-24)23-34(44)41-38(3,4)5)40-37(47)39-28-16-11-15-27(21-28)35(45)42-50(48,49)33-17-10-9-12-25(33)2/h6-21,30-31H,22-23H2,1-5H3,(H,41,44)(H,42,45)(H2,39,40,47)/t30-,31-/m1/s1
PubChem CID44301036
ChEMBLCHEMBL58154
IUPHARN/A
BindingDB50285006
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49591Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
49592Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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