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Ligand

NameE2-COO-
Molecular formulaC27H27O4-
IUPAC name3-[2-[(13S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]benzoate
Molecular weight415.509
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM36491
Inchi KeyOSMIWTQKPZDLCF-GTMPSLOGSA-M
Inchi IDInChI=1S/C27H28O4/c1-26-12-10-22-21-8-6-20(28)16-18(21)5-7-23(22)24(26)11-14-27(26,31)13-9-17-3-2-4-19(15-17)25(29)30/h2-4,6,8,15-16,22-24,28,31H,5,7,10-12,14H2,1H3,(H,29,30)/p-1/t22?,23?,24?,26-,27-/m0/s1
PubChem CID50997758
ChEMBLN/A
IUPHARN/A
BindingDB36491
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
461369G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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