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Ligand

NameCHEMBL119550
Molecular formulaC29H33NO4
IUPAC name(Z)-7-[(1R,2R,3S,5S)-2-(dibenzofuran-2-carbonylamino)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight459.586
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.3
Synonyms(Z)-7-[(1R,5S)-2alpha-[(Dibenzofuran-2-ylcarbonyl)amino]-6,6-dimethylbicyclo[3.1.1]heptan-3beta-yl]-5-heptenoic acid
BDBM50060467
(Z)-7-{(1R,2R,3S,5S)-2-[(Dibenzofuran-2-carbonyl)-amino]-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid
Inchi KeyCVLLFECJXVDQEK-LGNCZSJASA-N
Inchi IDInChI=1S/C29H33NO4/c1-29(2)20-15-18(9-5-3-4-6-12-26(31)32)27(23(29)17-20)30-28(33)19-13-14-25-22(16-19)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,16,18,20,23,27H,4,6,9,12,15,17H2,1-2H3,(H,30,33)(H,31,32)/b5-3-/t18-,20-,23-,27+/m0/s1
PubChem CID10813802
ChEMBLCHEMBL119550
IUPHARN/A
BindingDB50060467
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51583Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
51582Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
51581Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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