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Ligand

NameCHEMBL355778
Molecular formulaC36H47N5O7
IUPAC name2-[(2S,5S)-1-[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]-3-oxo-5-(2-phenylethyl)piperazin-2-yl]acetic acid
Molecular weight661.8
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP4.7
SynonymsBDBM50284151
((2S,5S)-1-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoyl}-3-oxo-5-phenethyl-piperazin-2-yl)-acetic acid
Inchi KeyGFKUUQKTBYWHFE-ABYARXGNSA-N
Inchi IDInChI=1S/C36H47N5O7/c1-22(2)17-29(34(46)41-21-25(16-15-23-11-7-6-8-12-23)38-33(45)30(41)19-31(42)43)39-32(44)28(40-35(47)48-36(3,4)5)18-24-20-37-27-14-10-9-13-26(24)27/h6-14,20,22,25,28-30,37H,15-19,21H2,1-5H3,(H,38,45)(H,39,44)(H,40,47)(H,42,43)/t25-,28-,29-,30-/m0/s1
PubChem CID44382748
ChEMBLCHEMBL355778
IUPHARN/A
BindingDB50284151
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
95147Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
95146Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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