| Reaction Details |
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 | Report a problem with these data |
| Target | Retinoic acid receptor RXR-alpha/alpha |
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| Ligand | BDBM50178956 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1582203 (CHEMBL3817429) |
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| Ki | 461±n/a nM |
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| Citation |  Hughes, NE; Bleisch, TJ; Jones, SA; Richardson, TI; Doti, RA; Wang, Y; Stout, SL; Durst, GL; Chambers, MG; Oskins, JL; Lin, C; Adams, LA; Page, TJ; Barr, RJ; Zink, RW; Osborne, H; Montrose-Rafizadeh, C; Norman, BH Identification of potent and selective retinoic acid receptor gamma (RAR¿) antagonists for the treatment of osteoarthritis pain using structure based drug design. Bioorg Med Chem Lett26:3274-3277 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Retinoic acid receptor RXR-alpha/alpha |
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| Name: | Retinoic acid receptor RXR-alpha/alpha |
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| Synonyms: | Retinoic acid receptor alpha/Retinoid X receptor alpha |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1582203 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Retinoic acid receptor alpha |
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| 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 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50778.87 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1466191 |
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| Residue: | 462 |
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| Sequence: | MASNSSSCPTPGGGHLNGYPVPPYAFFFPPMLGGLSPPGALTTLQHQLPVSGYSTPSPAT
IETQSSSSEEIVPSPPSPPPLPRIYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNM
VYTCHRDKNCIINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKEVPKPECSESYTL
TPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTV
EFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNA
GFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALK
VYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGL
DTLSGQPGGGGRDGGGLAPPPGSCSPSLSPSSNRSSPATHSP
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| Component 2 |
| Name: | Retinoic acid receptor RXR-alpha |
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| Synonyms: | NR2B1 | Nuclear receptor subfamily 2 group B member 1 | Nuclear receptor subfamily 4 group A member 2 | Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha | RXRA | RXRA_HUMAN | Retinoic acid receptor RXR-alpha/gamma | Retinoid X receptor alpha | Retinoid receptor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50820.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1456363 |
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| Residue: | 462 |
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| Sequence: | MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPING
MGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVP
AHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLID
KRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAEL
AVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVIL
LRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDM
QMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLL
RLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
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| BDBM50178956 |
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| n/a |
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| Name | BDBM50178956 |
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| Synonyms: | CHEMBL3813807 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H34N2O4S |
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| Mol. Mass. | 530.678 |
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| SMILES | CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O |
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| Structure | 
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