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Ligand

NameBDBM36490
Molecular formulaC27H32NO2+
IUPAC name[4-[2-[(13S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]phenyl]methylazanium
Molecular weight402.558
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP4.3
SynonymsE2-NH3+
Inchi KeyVGRGOPKFKWPQOM-CTEMSKPWSA-O
Inchi IDInChI=1S/C27H31NO2/c1-26-13-11-23-22-9-7-21(29)16-20(22)6-8-24(23)25(26)12-15-27(26,30)14-10-18-2-4-19(17-28)5-3-18/h2-5,7,9,16,23-25,29-30H,6,8,11-13,15,17,28H2,1H3/p+1/t23?,24?,25?,26-,27-/m0/s1
PubChem CID50997756
ChEMBLN/A
IUPHARN/A
BindingDB36490
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
462272G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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