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Ligand

Nameethinyl estradiol
Molecular formulaC20H24O2
IUPAC name(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Molecular weight296.41
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.7
SynonymsEthinylestradiol, 98%
Chee-O-Genf
Ethynyl estradiol
D00554
Etinestrol
[ Show all ]
Inchi KeyBFPYWIDHMRZLRN-SLHNCBLASA-N
Inchi IDInChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
PubChem CID5991
ChEMBLCHEMBL691
IUPHARN/A
BindingDBN/A
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: 5
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GLASS IDNameUniProtGeneSpeciesLength
225255-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
22523Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
442538Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
22526Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
22524Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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