Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM351740

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2303261

<100±n/a nM

Citation

Pandya, VB; Kumar, S; Sachchidanand, na; Sharma, R; Desai, RC Combating Autoimmune Diseases With Retinoic Acid Receptor-Related Orphan Receptor-? (ROR? or RORc) Inhibitors: Hits and Misses. J Med Chem61:10976-10995 (2018) [PubMed]

More Info.:

Get all data from this article, Assay Method

Nuclear receptor ROR-gamma

Name:

Nuclear receptor ROR-gamma

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

58218.40

Organism:

Homo sapiens (Human)

Description:

P51449

Residue:

518

Sequence:

MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK

BDBM351740

n/a

Name

BDBM351740

Synonyms:

US9796710, Compound 33

Type

Small organic molecule

Emp. Form.

C27H35F3N4O4S

Mol. Mass.

568.651

SMILES

CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC |r,wU:8.11,25.27,wD:5.4,2.1,(-5.82,-4.43,;-4.33,-4.03,;-3.93,-2.54,;-4.84,-1.3,;-6.38,-1.3,;-7.15,.04,;-6.38,1.37,;-7.15,2.7,;-8.69,2.7,;-9.46,1.37,;-8.69,.04,;-9.46,4.04,;-8.69,5.37,;-11,4.04,;-10.23,5.37,;-3.93,-.05,;-2.47,-.53,;-1.13,.24,;.2,-.53,;.2,-2.07,;-1.13,-2.84,;-2.47,-2.07,;1.53,.24,;1.53,1.78,;2.87,-.53,;4.2,.24,;4.2,1.78,;5.53,2.55,;5.53,-.53,;6.87,.24,;8.2,-.53,;8.27,-2.15,;6.87,-2.84,;5.53,-2.07,;9.59,-2.93,;8.8,-4.26,;10.38,-1.61,;10.91,-3.72,;12.26,-2.97,)|

Structure