Reaction Details  Report a problem with these data
Target
Retinoic acid receptor alpha
Ligand
BDBM50048280
Substrate
n/a
Meas. Tech.
ChEMBL_1760056 (CHEMBL4195064)
EC50
22±n/a nM
Citation
 Thoreau, E; Arlabosse, JM; Bouix-Peter, C; Chambon, S; Chantalat, L; Daver, S; Dumais, L; Duvert, G; Feret, A; Ouvry, G; Pascau, J; Raffin, C; Rodeville, N; Soulet, C; Tabet, S; Talano, S; Portal, T Structure-based design of Trifarotene (CD5789), a potent and selective RAR? agonist for the treatment of acne. Bioorg Med Chem Lett 28:1736-1741 (2018) [PubMed]  Article
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:
BDBM50048280
Synonyms:
6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid | 6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid | ADAPALENE | CHEMBL1265
Type:
Small organic molecule
Emp. Form.:
C28H28O3
Mol. Mass.:
412.5201
SMILES:
COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Structure:
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