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Ligand

NameCHEMBL2371222
Molecular formulaC35H44N6O7
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2R,5R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diazacyclotridecane-5-carbonyl]amino]-4-oxobutanoic acid
Molecular weight660.772
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP2.8
SynonymsBDBM50056449
N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4diaza-cyclotridecane-5-carbonyl]-amino}-succinamic acid
Inchi KeyBDKLOKRNGDIZTO-JCLAXVLHSA-N
Inchi IDInChI=1S/C35H44N6O7/c1-35(20-23-21-37-25-15-11-10-14-24(23)25)34(48)40-26(16-8-3-2-4-9-17-29(42)41-35)32(46)39-28(19-30(43)44)33(47)38-27(31(36)45)18-22-12-6-5-7-13-22/h5-7,10-15,21,26-28,37H,2-4,8-9,16-20H2,1H3,(H2,36,45)(H,38,47)(H,39,46)(H,40,48)(H,41,42)(H,43,44)/t26-,27+,28+,35-/m1/s1
PubChem CID10327028
ChEMBLCHEMBL2371222
IUPHARN/A
BindingDB50056449
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21018Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
21016Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
21017Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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