Reaction Details Report a problem with these data
Target
Retinoic acid receptor alpha
Ligand
BDBM50129720
Substrate
n/a
Meas. Tech.
ChEBML_197251
Ki
54±n/a nM
Citation
Michellys, PY; Boehm, MF; Chen, JH; Grese, TA; Karanewsky, DS; Leibowitz, MD; Liu, S; Mais, DA; Mapes, CM; Reifel-Miller, A; Ogilvie, KM; Rungta, D; Thompson, AW; Tyhonas, JS; Yumibe, N; Ardecky, RJ Design and synthesis of novel RXR-selective modulators with improved pharmacological profile. Bioorg Med Chem Lett 13:4071-5 (2003) [PubMed] Article
More Info.:
Target
Name:
Retinoic acid receptor alpha
Synonyms:
NR1B1 | Nuclear receptor subfamily 1 group B member 1 | RAR-alpha | RARA | RARA_HUMAN | Retinoic acid receptor alpha | Retinoic acid receptor alpha/Retinoid X receptor alpha | Retinoid X receptor gamma/retinoic acid receptor alpha | Retinoid receptor
Type:
PROTEIN
Mol. Mass.:
50778.87
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1466191
Residue:
462
Sequence:
MASNSSSCPTPGGGHLNGYPVPPYAFFFPPMLGGLSPPGALTTLQHQLPVSGYSTPSPATIETQSSSSEEIVPSPPSPPPLPRIYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMVYTCHRDKNCIINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKEVPKPECSESYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGLDTLSGQPGGGGRDGGGLAPPPGSCSPSLSPSSNRSSPATHSP
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