Reaction Details Report a problem with these data
Target
Receptor-interacting serine/threonine-protein kinase 1
Ligand
BDBM50446267
Substrate
n/a
Meas. Tech.
ChEMBL_1288031 (CHEMBL3110730)
IC50
63±n/a nM
Citation
 Harris, PA; Bandyopadhyay, D; Berger, SB; Campobasso, N; Capriotti, CA; Cox, JA; Dare, L; Finger, JN; Hoffman, SJ; Kahler, KM; Lehr, R; Lich, JD; Nagilla, R; Nolte, RT; Ouellette, MT; Pao, CS; Schaeffer, MC; Smallwood, A; Sun, HH; Swift, BA; Totoritis, RD; Ward, P; Marquis, RW; Bertin, J; Gough, PJ Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis. ACS Med Chem Lett 4:1238-43 (2013) [PubMed]  Article 
Target
Name:
Receptor-interacting serine/threonine-protein kinase 1
Synonyms:
Cell death protein RIP | RIP | RIP-1 | RIP1 | RIPK1 | RIPK1_HUMAN | Receptor-interacting protein 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
75926.99
Organism:
Homo sapiens (Human)
Description:
Q13546
Residue:
671
Sequence:
MQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLCFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMCYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAICEQQLIMCIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLEESVEEDVKSLKKEYSNENAVVKRMQSLQLDCVAVPSSRSNSATEQPGSLHSSQGLGMGPVEESWFAPSLEHPQEENEPSLQSKLQDEANYHLYGSRMDRQTKQQPRQNVAYNREEERRRRVSHDPFAQQRPYENFQNTEGKGTAYSSAASHGNAVHQPSGLTSQPQVLYQNNGLYSSHGFGTRPLDPGTAGPRVWYRPIPSHMPSLHNIPVPETNYLGNTPTMPFSSLPPTDESIKYTIYNSTGIQIGAYNYMEIGGTSSSLLDSTNTNFKEEPAAKYQAIFDNTTSLTDKHLDPIRENLGKHWKNCARKLGFTQSQIDEIDHDYERDGLKEKVYQMLQKWVMREGIKGATVGKLAQALHQCSRIDLLSSLIYVSQN
  
Inhibitor
Name:
BDBM50446267
Synonyms:
CHEMBL3109211
Type:
Small organic molecule
Emp. Form.:
C28H20F4N4O3S
Mol. Mass.:
568.542
SMILES:
CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
Structure:
Search PDB for entries with ligand similarity: