Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor delta
Ligand
BDBM21221
Substrate
n/a
Meas. Tech.
ChEBML_1669058
Ki
0.430000±n/a nM
Citation
 Yu, J; Ahn, S; Kim, HJ; Lee, M; Ahn, S; Kim, J; Jin, SH; Lee, E; Kim, G; Cheong, JH; Jacobson, KA; Jeong, LS; Noh, M Polypharmacology of N J Med Chem 60:7459-7475 (2017) [PubMed]  Article 
Target
Name:
Peroxisome proliferator-activated receptor delta
Synonyms:
NR1C2 | NUC1 | NUCI | Nuclear hormone receptor 1 | Nuclear receptor subfamily 1 group C member 2 | PPAR delta | PPAR-beta | PPARB | PPARD | PPARD_HUMAN | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor beta | Peroxisome proliferator-activated receptor delta
Type:
Enzyme
Mol. Mass.:
49910.45
Organism:
Homo sapiens (Human)
Description:
Q03181
Residue:
441
Sequence:
MEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSSPPSLLDQLQMGCDGASCGSLNMECRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYEKCERSCKIQKKNRNKCQYCRFQKCLALGMSHNAIRFGRMPEAEKRKLVAGLTANEGSQYNPQVADLKAFSKHIYNAYLKNFNMTKKKARSILTGKASHTAPFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDMY
  
Inhibitor
Name:
BDBM21221
Synonyms:
(2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide | 2-Cl-IB-MECA | 2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide | C-IBzA-MU | C1-IB-MECA | CHEMBL431733 | CI-IB-MECA | Cl-IB-MECA | US20230364057, Compound 76
Type:
Small organic molecule
Emp. Form.:
C18H18ClIN6O4
Mol. Mass.:
544.731
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Structure:
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