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Target
Nuclear receptor ROR-beta
Ligand
BDBM50271673
Substrate
n/a
Meas. Tech.
ChEMBL_1711299 (CHEMBL4121348)
Kd
330±n/a nM
Citation
 Gege, C; Cummings, MD; Albers, M; Kinzel, O; Kleymann, G; Schlüter, T; Steeneck, C; Nelen, MI; Milligan, C; Spurlino, J; Xue, X; Leonard, K; Edwards, JP; Fourie, A; Goldberg, SD; Hoffmann, T Identification and biological evaluation of thiazole-based inverse agonists of ROR?t. Bioorg Med Chem Lett 28:1446-1455 (2018) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-beta
Synonyms:
NR1F2 | Nuclear receptor RZR-beta | Nuclear receptor subfamily 1 group F member 2 | RORB | RORB_HUMAN | RZRB | Retinoid-related orphan receptor-beta
Type:
PROTEIN
Mol. Mass.:
53227.30
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107979
Residue:
470
Sequence:
MCENQLKTKADATAQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQNNASYSCPRQRNCLIDRTNRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLYAEVQKHQQRLQEQRQQQSGEAEALARVYSSSISNGLSNLNNETSGTYANGHVIDLPKSEGYYNVDSGQPSPDQSGLDMTGIKQIKQEPIYDLTSVPNLFTYSSFNNGQLAPGITMTEIDRIAQNIIKSHLETCQYTMEELHQLAWQTHTYEEIKAYQSKSREALWQQCAIQITHAIQYVVEFAKRITGFMELCQNDQILLLKSGCLEVVLVRMCRAFNPLNNTVLFEGKYGGMQMFKALGSDDLVNEAFDFAKNLCSLQLTEEEIALFSSAVLISPDRAWLIEPRKVQKLQEKIYFALQHVIQKNHLDDETLAKLIAKIPTITAVCNLHGEKLQVFKQSHPEIVNTLFPPLYKELFNPDCATGCK
  
Inhibitor
Name:
BDBM50271673
Synonyms:
CHEMBL4129421
Type:
Small organic molecule
Emp. Form.:
C30H33F3N4O4S
Mol. Mass.:
602.668
SMILES:
C[C@H](NC(=O)c1cc(cc(c1)C1(CC1)C#N)-c1sc(nc1CC1CCCCC1)C(=O)N[C@H]1C[C@@H](C1)C(O)=O)C(F)(F)F |r,wU:31.34,wD:33.39,1.0,(43.37,-21.19,;44.17,-19.88,;43.43,-18.52,;41.89,-18.49,;41.15,-17.13,;41.09,-19.8,;39.55,-19.76,;38.75,-21.07,;39.48,-22.42,;41.02,-22.48,;41.83,-21.16,;41.74,-23.82,;43.07,-23.04,;43.08,-24.58,;40.94,-25.14,;40.14,-26.46,;37.22,-21.03,;36.34,-19.75,;34.87,-20.19,;34.82,-21.73,;36.27,-22.24,;36.71,-23.72,;35.64,-24.84,;34.16,-24.47,;33.1,-25.58,;33.52,-27.05,;35.02,-27.42,;36.09,-26.31,;33.52,-19.42,;33.52,-17.88,;32.19,-20.19,;30.85,-19.42,;29.37,-19.82,;28.97,-18.34,;30.46,-17.94,;27.63,-17.56,;26.3,-18.34,;27.63,-16.02,;45.71,-19.92,;46.45,-21.27,;46.51,-18.6,;47.24,-19.91,)|
Structure:
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