Reaction Details |
| Report a problem with these data |
Target | Estradiol-bound Estrogen receptor [255-595] |
---|
Ligand | BDBM217392 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | Fluorescence Polarization Assay |
---|
pH | 7.4±n/a |
---|
Temperature | 298.15±n/a K |
---|
Kd | 1.0e+3± 1e+2 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. Biochemistry56:1062-1074 (2017) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Estradiol-bound Estrogen receptor [255-595] |
---|
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: | IRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQ
MVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHD
QVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSR
FRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAG
LTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTS
RGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
|
|
|
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 |
|
BDBM217392 |
---|
n/a |
---|
Name | BDBM217392 |
Synonyms: | CLTERHKILHRLLQE | NRBoxII |
Type | Small organic molecule |
Emp. Form. | C82H141N27O22S |
Mol. Mass. | 1889.23 |
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)N[C@@H](CC(C)C)C(=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 |r| |
Structure |
|