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Target
Oxysterols receptor LXR-beta
Ligand
BDBM50509335
Substrate
n/a
Meas. Tech.
ChEMBL_1837940 (CHEMBL4338073)
IC50
>10000±n/a nM
Citation
 Marcoux, D; Duan, JJ; Shi, Q; Cherney, RJ; Srivastava, AS; Cornelius, L; Batt, DG; Liu, Q; Beaudoin-Bertrand, M; Weigelt, CA; Khandelwal, P; Vishwakrishnan, S; Selvakumar, K; Karmakar, A; Gupta, AK; Basha, M; Ramlingam, S; Manjunath, N; Vanteru, S; Karmakar, S; Maddala, N; Vetrichelvan, M; Gupta, A; Rampulla, RA; Mathur, A; Yip, S; Li, P; Wu, DR; Khan, J; Ruzanov, M; Sack, JS; Wang, J; Yarde, M; Cvijic, ME; Li, S; Shuster, DJ; Borowski, V; Xie, JH; McIntyre, KW; Obermeier, MT; Fura, A; Stefanski, K; Cornelius, G; Hynes, J; Tino, JA; Macor, JE; Salter-Cid, L; Denton, R; Zhao, Q; Carter, PH; Dhar, TGM Rationally Designed, Conformationally Constrained Inverse Agonists of ROR?t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J Med Chem 62:9931-9946 (2019) [PubMed]  Article 
Target
Name:
Oxysterols receptor LXR-beta
Synonyms:
LXRB | Liver X receptor beta (NR1H2) | Liver X, LXR beta | NER | NR1H2 | NR1H2_HUMAN | Nuclear receptor NER | UNR | Ubiquitously-expressed nuclear receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50978.79
Organism:
Homo sapiens (Human)
Description:
P55055
Residue:
460
Sequence:
MSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTDEASSACSTDWVIPDPEEEPERKRKKGPAPKMLGHELCRVCGDKASGFHYNVLSCEGCKGFFRRSVVRGGARRYACRGGGTCQMDAFMRRKCQQCRLRKCKEAGMREQCVLSEEQIRKKKIRKQQQESQSQSQSPVGPQGSSSSASGPGASPGGSEAGSQGSGEGEGVQLTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPLGADPQSRDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAINIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
  
Inhibitor
Name:
BDBM50509335
Synonyms:
CHEMBL4579028
Type:
Small organic molecule
Emp. Form.:
C29H28F8N2O5S
Mol. Mass.:
668.595
SMILES:
[H][C@@]12CN(C)c3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:17.19,wD:20.26,1.0,11.29,(37.5,-6.4,;36.17,-7.18,;36.17,-5.63,;34.82,-4.84,;34.82,-3.3,;33.48,-5.62,;32.15,-4.86,;30.82,-5.63,;30.82,-7.18,;32.15,-7.95,;33.48,-7.18,;34.82,-7.95,;35.13,-9.47,;36.68,-9.65,;37.32,-8.23,;38.83,-7.92,;39.31,-6.46,;39.85,-9.07,;41.34,-8.75,;42.37,-9.9,;41.89,-11.37,;40.38,-11.68,;39.35,-10.53,;42.91,-12.52,;42.43,-13.98,;44.42,-12.2,;33.72,-9.04,;32.62,-10.13,;32.22,-8.63,;34.1,-10.53,;33,-11.6,;33.39,-13.09,;34.88,-13.5,;35.26,-14.99,;35.98,-12.42,;35.58,-10.93,;29.49,-4.86,;28.15,-4.09,;28.15,-5.63,;26.82,-4.86,;28.15,-7.17,;26.81,-6.39,;29.49,-3.32,;30.82,-2.55,;28.15,-2.55,;29.48,-1.78,)|
Structure:
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