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Ligand

NameCHEMBL1910325
Molecular formulaC35H39N5O6
IUPAC name(3S)-3-[[(2S)-2-[[(3S,6S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid
Molecular weight625.726
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.9
SynonymsSCHEMBL14233258
Inchi KeyHICVXOMTGSGJJZ-IIZANFQQSA-N
Inchi IDInChI=1S/C35H39N5O6/c41-31(20-24-10-5-2-6-11-24)38-28-15-13-27-14-16-30(40(27)35(28)46)34(45)39-29(19-25-12-7-17-36-22-25)33(44)37-26(21-32(42)43)18-23-8-3-1-4-9-23/h1-12,17,22,26-30H,13-16,18-21H2,(H,37,44)(H,38,41)(H,39,45)(H,42,43)/t26-,27-,28-,29-,30-/m0/s1
PubChem CID57400699
ChEMBLCHEMBL1910325
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
115554Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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