Reaction Details Report a problem with these data
Target
Estradiol-bound Estrogen receptor [255-595]
Ligand
BDBM217396
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Kd
>1.50e+5±n/a nM
Comments
extracted
Citation
 Tressler, CM; Zondlo, NJ Perfluoro-tert-butyl Homoserine Is a Helix-Promoting, Highly Fluorinated, NMR-Sensitive Aliphatic Amino Acid: Detection of the Estrogen Receptor·Coactivator Protein-Protein Interaction by (19)F NMR. Biochemistry 56:1062-1074 (2017) [PubMed]  Article 
Target
Name:
Estradiol-bound Estrogen receptor [255-595]
Synonyms:
Estradiol-bound ERα LBD
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Estrogen receptor [255-595]
Synonyms:
ESR | ESR1 | ESR1_HUMAN | Estrogen receptor ligand binding domain (ERalpha LBD) | NR3A1
Type:
Protein
Mol. Mass.:
38412.26
Organism:
Homo sapiens (Human)
Description:
Human estrogen receptor ligand binding domain (255-595 aa)
Residue:
341
Sequence:
IRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Component 2
Name:
BDBM17292
Synonyms:
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol | 17 beta-Estradiol | 17α-ethinylestradiol | 17beta-estradiol (E2) | CHEMBL135 | CS336 | ESTRADIOL | Estradiol-17 alpha | Ovocyclin | US9034854, E2 | US9040509, E2 | US9422324, E2 | US9561238, E2 | [2,4,6,7-3H]-17beta-estradiol | [2,4,6,7-3H]-E2 | [3H]-estradiol | [3H]]estradiol
Type:
Steroid
Emp. Form.:
C18H24O2
Mol. Mass.:
272.382
SMILES:
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Structure:
Search PDB for entries with ligand similarity:
Inhibitor
Name:
BDBM217396
Synonyms:
CLTERHKI(hyp(C4F9))HRLLQE | Leu9hyp(C4F9)
Type:
Small organic molecule
Emp. Form.:
C85H136F9N27O23S
Mol. Mass.:
2107.207
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F |r|
Structure:
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