Reaction Details
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Retinoic acid receptor alpha
Ligand
BDBM50244760
Substrate
n/a
Meas. Tech.
ChEMBL_1290847 (CHEMBL3118432)
IC50
4474±n/a nM
Citation
García-Rodríguez, J; Pérez-Rodríguez, S; Ortiz, MA; Pereira, R; de Lera, AR; Piedrafita, FJ Inhibition of I¿B kinase-ß and I¿B kinase-a by heterocyclic adamantyl arotinoids. Bioorg Med Chem 22:1285-302 (2014) [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:
BDBM50244760
Synonyms:
(E)-4-{3-[3-Adamantan-1-yl-4-(2-methoxy-ethoxymethoxy)-phenyl]-3-oxo-propenyl}-benzoic acid | 4-{3-[3-Adamantan-1-yl-4-(2-methoxy-ethoxymethoxy)-phenyl]-3-oxo-propenyl}-benzoic acid | CHEMBL462134
Type:
Small organic molecule
Emp. Form.:
C30H34O6
Mol. Mass.:
490.5874
SMILES:
COCCOCOc1ccc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)\C=C\c1ccc(cc1)C(O)=O |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Structure:
