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Target
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma
Ligand
BDBM50537147
Substrate
n/a
Meas. Tech.
ChEMBL_1935812 (CHEMBL4481571)
EC50
>20000±n/a nM
Citation
 Kotoku, M; Maeba, T; Fujioka, S; Yokota, M; Seki, N; Ito, K; Suwa, Y; Ikenogami, T; Hirata, K; Hase, Y; Katsuda, Y; Miyagawa, N; Arita, K; Asahina, K; Noguchi, M; Nomura, A; Doi, S; Adachi, T; Crowe, P; Tao, H; Thacher, S; Hashimoto, H; Suzuki, T; Shiozaki, M Discovery of Second Generation ROR? Inhibitors Composed of an Azole Scaffold. J Med Chem 62:2837-2842 (2019) [PubMed]  Article 
Target
Name:
Retinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma
Synonyms:
Retinoid X receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1935812
Components:
This complex has 3 components.
Component 1
Name:
Retinoic acid receptor RXR-beta
Synonyms:
NR2B2 | Nuclear receptor subfamily 2 group B member 2 | RXRB | RXRB_HUMAN | Retinoic acid receptor RXR-beta | Retinoid X receptor beta | Retinoid receptor
Type:
PROTEIN
Mol. Mass.:
56932.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_39045
Residue:
533
Sequence:
MSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAAAAVAGGEQQTPEPEPGEAGRDGMGDSGRDSRSPDSSSPNPLPQGVPPPSPPGPPLPPSTAPSLGGSGAPPPPPMPPPPLGSPFPVISSSMGSPGLPPPAPPGFSGPVSSPQINSTVSLPGGGSGPPEDVKPPVLGVRGLHCPPPPGGPGAGKRLCAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLTYSCRDNKDCTVDKRQRNRCQYCRYQKCLATGMKREAVQEERQRGKDKDGDGEGAGGAPEEMPVDRILEAELAVEQKSDQGVEGPGGTGGSGSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSSLPLDDQVILLRAGWNELLIASFSHRSIDVRDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMRMDKTELGCLRAIILFNPDAKGLSNPSEVEVLREKVYASLETYCKQKYPEQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQLA
  
Component 2
Name:
Retinoic acid receptor RXR-gamma
Synonyms:
NR2B3 | Nuclear receptor subfamily 2 group B member 3 | RXRG | RXRG_HUMAN | Retinoic acid receptor RXR-gamma | Retinoid X receptor gamma | Retinoid X receptor gamma/retinoic acid receptor alpha
Type:
PROTEIN
Mol. Mass.:
50878.26
Organism:
Homo sapiens (Human)
Description:
ChEMBL_197216
Residue:
463
Sequence:
MYGNYSHFMKFPAGYGGSPGHTGSTSMSPSAALSTGKPMDSHPSYTDTPVSAPRTLSAVGTPLNALGSPYRVITSAMGPPSGALAAPPGINLVAPPSSQLNVVNSVSSSEDIKPLPGLPGIGNMNYPSTSPGSLVKHICAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLIYTCRDNKDCLIDKRQRNRCQYCRYQKCLVMGMKREAVQEERQRSRERAESEAECATSGHEDMPVERILEAELAVEPKTESYGDMNMENSTNDPVTNICHAADKQLFTLVEWAKRIPHFSDLTLEDQVILLRAGWNELLIASFSHRSVSVQDGILLATGLHVHRSSAHSAGVGSIFDRVLTELVSKMKDMQMDKSELGCLRAIVLFNPDAKGLSNPSEVETLREKVYATLEAYTKQKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLETPLQIT
  
Component 3
Name:
Retinoic acid receptor RXR-alpha
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
Type:
PROTEIN
Mol. Mass.:
50820.38
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1456363
Residue:
462
Sequence:
MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
  
Inhibitor
Name:
BDBM50537147
Synonyms:
CHEMBL4537625
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N3NaO5
Mol. Mass.:
556.413
SMILES:
[Na;v0+].[#6]C([#6])([#6])[#6]-c1cc(no1)-c1onc(-[#6@@H](-[#6]-[#6]-[#6](-[#8-])=O)-[#6]-[#6](=O)-[#7]-c2ccc(Cl)cc2Cl)c1-[#6]-1-[#6]-[#6]-1 |r|
Structure:
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