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Ligand

NameCHEMBL309999
Molecular formulaC29H35NO6S
IUPAC name(Z)-7-[(1S,2R,3R,4R)-3-[(2-methoxydibenzofuran-3-yl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylhept-5-enoic acid
Molecular weight525.66
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50128709
7-[3-(2-Methoxy-dibenzofuran-3-sulfonylamino)-bicyclo[2.2.1]hept-2-yl]-2,2-dimethyl-hept-5-enoic acid
Inchi KeyBRDIMTQGTOLKQZ-OWSPQCILSA-N
Inchi IDInChI=1S/C29H35NO6S/c1-29(2,28(31)32)14-8-4-5-9-20-18-12-13-19(15-18)27(20)30-37(33,34)26-17-24-22(16-25(26)35-3)21-10-6-7-11-23(21)36-24/h4-7,10-11,16-20,27,30H,8-9,12-15H2,1-3H3,(H,31,32)/b5-4-/t18-,19+,20+,27+/m0/s1
PubChem CID10951507
ChEMBLCHEMBL309999
IUPHARN/A
BindingDB50128709
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30897Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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