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Ligand

NameCHEMBL3350691
Molecular formulaC34H44N4O7
IUPAC name4-[[(1R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid;hydrate
Molecular weight620.747
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyCGTXAIBWEYRVFX-FEPWIQBLSA-N
Inchi IDInChI=1S/C34H42N4O6.H2O/c1-33(2)23-15-16-34(33,3)28(18-23)44-32(43)38-26(17-22-19-35-25-12-8-7-11-24(22)25)31(42)36-20-27(21-9-5-4-6-10-21)37-29(39)13-14-30(40)41;/h4-12,19,23,26-28,35H,13-18,20H2,1-3H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41);1H2/t23?,26-,27-,28-,34?;/m0./s1
PubChem CID118719083
ChEMBLCHEMBL3350691
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443338Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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