HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPL COMPOUND 15
PDB id Source Resolution
1XP1 HOMO SAPIENS 1.8 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
AIH Valid ic50 =  0.5 nM   launch gocavviewer-lite   477.615
C28 H31 N O4 S
 C[C@H]1CN(C[C@@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O

ESTROGEN RECEPTOR LIGANDS. PART 9: DIHYDROBENZOXATH SERAMS WITH ALKYL SUBSTITUTED PYRROLIDINE SIDE CHAI LINKERS. BIOORG.MED.CHEM.LETT. V. 15 107 2005

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90% Homology Family

The Class containing this family consists of a total of 161 families.
Leader:    2QE4
ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN
IN COMPLEX WITH A BENZOPYRAN AGONIST
PDB id Binding data Representative ligand
2QE4 Ki = 0.28 nM JJ3
1GWQ Kd = 76.0 nM LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP
1GWR Kd = 250.0 nM ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP
1QKT Kd = 0.92 nM EST
1SJ0 ic50 = 0.8 nM E4D
1UOM ic50 = 19.0 nM PTI
1XP1 ic50 = 0.5 nM AIH
1XP6 ic50 = 0.4 nM AIU
1XP9 ic50 = 1.3 nM AIJ
1XPC ic50 = 1.7 nM AIT
1XQC ic50 = 63.0 nM AEJ
1YIM ic50 = 1.5 nM CM4
1YIN ic50 = 1.4 nM CM3
2AYR Ki = 0.52 nM L4G
2BJ4   OHT
2IOG ic50 = 8.0 nM IOG
2IOK ic50 = 1.0 nM IOK
2OUZ   C3D
2POG Ki = 0.29 nM WST
2Q70 Ki = 8.3 nM DC8
2QXS   RAL
2R6W Ki = 0.44 nM LLB
2R6Y Ki = 0.32 nM LLC
3DT3   369
3ERT   OHT
3OS8   KN0
3OS9   KN1
3OSA   KN3