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Ligand

NameCHEMBL81746
Molecular formulaC22H31NO3S
IUPAC name(E)-7-[(1R,2R,3S,5S)-6,6-dimethyl-2-[methyl(thiophene-3-carbonyl)amino]-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight389.554
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
Synonyms7-{6,6-Dimethyl-2-[methyl-(thiophene-3-carbonyl)-amino]-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid
BDBM50128761
Inchi KeyAPXAGSBZYQBFHZ-VGWCBABISA-N
Inchi IDInChI=1S/C22H31NO3S/c1-22(2)17-12-15(8-6-4-5-7-9-19(24)25)20(18(22)13-17)23(3)21(26)16-10-11-27-14-16/h4,6,10-11,14-15,17-18,20H,5,7-9,12-13H2,1-3H3,(H,24,25)/b6-4+/t15-,17-,18-,20+/m0/s1
PubChem CID44461054
ChEMBLCHEMBL81746
IUPHARN/A
BindingDB50128761
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11420Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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