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Target
Vitamin D3 receptor A
Ligand
BDBM50496701
Substrate
n/a
Meas. Tech.
ChEMBL_1330621 (CHEMBL3222526)
EC50
0.250000±n/a nM
Citation
 Huet, T; Maehr, H; Lee, HJ; Uskokovic, MR; Suh, N; Moras, D; Rochel, N Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Medchemcomm 2:424-429 (2011) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor A
Synonyms:
1,25-dihydroxyvitamin D3 receptor A | Nuclear receptor subfamily 1 group I member 1-A | VDR-A | VDRA_DANRE | Vitamin D3 receptor A | nr1i1a | vdr | vdra
Type:
PROTEIN
Mol. Mass.:
50869.54
Organism:
Danio rerio
Description:
ChEMBL_108257
Residue:
453
Sequence:
MLTENSAVNSGGKSKCEAGACESRVNGDATSVMDLMAVSTSATGQDEFDRNAPRICGVCGDKATGFHFNAMTCEGCKGFFRRSMKRKASFTCPFNGNCTITKDNRRHCQACRLKRCIDIGMMKEFILTDEEVQRKKDLIMKRKEEEAAREARKPRLSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVREGPVTRSASRAASLHSLSDASSDSFNHSPESVDTKLNFSNLLMMYQDSGSPDSSEEDQQSRLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGSEVS
  
Inhibitor
Name:
BDBM50496701
Synonyms:
CHEMBL3220718
Type:
Small organic molecule
Emp. Form.:
C31H44F6O4
Mol. Mass.:
600.706
SMILES:
[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-1)[#6@H](-[#6]-[#6]-[#6]C([#8])(C([2H])([2H])[2H])C([2H])([2H])[2H])-[#6]C#CC([#8])(C(F)(F)F)C(F)(F)F |r|
Structure:
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