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Ligand

NameCHEMBL81757
Molecular formulaC27H33NO4S
IUPAC name(Z)-7-[(1S,2R,3R,4R)-3-[(4-phenylphenyl)methylsulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular weight467.624
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.2
Synonyms(+) 7-[3-(Biphenyl-4-ylmethanesulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid
BDBM50128719
Inchi KeyAPJPFVXOKVQGFK-RHMQENHLSA-N
Inchi IDInChI=1S/C27H33NO4S/c29-26(30)11-7-2-1-6-10-25-23-16-17-24(18-23)27(25)28-33(31,32)19-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h1,3-6,8-9,12-15,23-25,27-28H,2,7,10-11,16-19H2,(H,29,30)/b6-1-/t23-,24+,25+,27+/m0/s1
PubChem CID11037976
ChEMBLCHEMBL81757
IUPHARN/A
BindingDB50128719
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11041Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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