Reaction Details Report a problem with these data
Target
Retinoic acid receptor, alpha, isoform CRA_b
Ligand
BDBM50129720
Substrate
n/a
Meas. Tech.
ChEMBL_195190 (CHEMBL802723)
Ki
2745±n/a nM
Citation
Michellys, PY; Ardecky, RJ; Chen, JH; D'Arrigo, J; Grese, TA; Karanewsky, DS; Leibowitz, MD; Liu, S; Mais, DA; Mapes, CM; Montrose-Rafizadeh, C; Ogilvie, KM; Reifel-Miller, A; Rungta, D; Thompson, AW; Tyhonas, JS; Boehm, MF Design, synthesis, and structure-activity relationship studies of novel 6,7-locked-[7-(2-alkoxy-3,5-dialkylbenzene)-3-methylocta]-2,4,6-trienoic acids. J Med Chem 46:4087-103 (2003) [PubMed] Article
More Info.:
Target
Name:
Retinoic acid receptor, alpha, isoform CRA_b
Synonyms:
Retinoic acid receptor alpha
Type:
PROTEIN
Mol. Mass.:
50955.52
Organism:
Rattus norvegicus
Description:
ChEMBL_195190
Residue:
459
Sequence:
MYESVEVGGLAPAPNPFLVVDFYNQNRACLLQEKGLPAPGPYSTPLRTPLWNGSNHSIETQSSSSEEIVPSPPSPPPLPRIYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMVYTCHRDKNCIINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKETPKPECSESYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDKVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGLDTLSGQSGGGTRDGGGLAPPPGSCSPSLSPSSHRSSPATQSP
Inhibitor
Name:
BDBM50129720
Synonyms:
(2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid | 7-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy)-phenyl]-3-methyl-octa-2,4,6-trienoic acid | CHEMBL42314
Type:
Small organic molecule
Emp. Form.:
C25H34F2O3
Mol. Mass.:
420.5325
SMILES:
C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O