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Ligand

NameCHEMBL227333
Molecular formulaC31H36N4O5S
IUPAC name2-[3-[[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]sulfanylacetic acid
Molecular weight576.712
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50411342
L022193
SCHEMBL3909639
Inchi KeyYKVYNYOOVAWIKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H36N4O5S/c36-27(21-9-4-5-10-21)18-34-26-16-7-6-15-25(26)30(22-11-2-1-3-12-22)33-35(31(34)40)19-28(37)32-23-13-8-14-24(17-23)41-20-29(38)39/h6-8,13-17,21-22H,1-5,9-12,18-20H2,(H,32,37)(H,38,39)
PubChem CID16733469
ChEMBLCHEMBL227333
IUPHARN/A
BindingDB50411342
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
412616Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
412617Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
412618Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453
412619Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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