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Ligand

NameCHEMBL172635
Molecular formulaC34H43N5O7
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-phenylpiperazin-2-yl]acetic acid
Molecular weight633.746
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP3.8
SynonymsBDBM50284162
((2S,5S)-1-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoyl}-3-oxo-5-phenyl-piperazin-2-yl)-acetic acid
Inchi KeyBFNUEOPFDAISOI-BPXGVECKSA-N
Inchi IDInChI=1S/C34H43N5O7/c1-20(2)15-26(32(44)39-19-27(21-11-7-6-8-12-21)37-31(43)28(39)17-29(40)41)36-30(42)25(38-33(45)46-34(3,4)5)16-22-18-35-24-14-10-9-13-23(22)24/h6-14,18,20,25-28,35H,15-17,19H2,1-5H3,(H,36,42)(H,37,43)(H,38,45)(H,40,41)/t25-,26-,27+,28-/m0/s1
PubChem CID44382087
ChEMBLCHEMBL172635
IUPHARN/A
BindingDB50284162
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
22484Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
22485Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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