Reaction Details
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Receptor-interacting serine/threonine-protein kinase 1
Ligand
BDBM50233250
Substrate
n/a
Meas. Tech.
ChEMBL_1650163 (CHEMBL3999297)
IC50
6.3±n/a nM
Citation
Harris, PA; Berger, SB; Jeong, JU; Nagilla, R; Bandyopadhyay, D; Campobasso, N; Capriotti, CA; Cox, JA; Dare, L; Dong, X; Eidam, PM; Finger, JN; Hoffman, SJ; Kang, J; Kasparcova, V; King, BW; Lehr, R; Lan, Y; Leister, LK; Lich, JD; MacDonald, TT; Miller, NA; Ouellette, MT; Pao, CS; Rahman, A; Reilly, MA; Rendina, AR; Rivera, EJ; Schaeffer, MC; Sehon, CA; Singhaus, RR; Sun, HH; Swift, BA; Totoritis, RD; Vossenkämper, A; Ward, P; Wisnoski, DD; Zhang, D; Marquis, RW; Gough, PJ; Bertin, J Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. J Med Chem 60:1247-1261 (2017) [PubMed] Article More Info.:
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:
BDBM50233250
Synonyms:
CHEMBL4099698
Type:
Small organic molecule
Emp. Form.:
C24H21N5O4
Mol. Mass.:
443.4546
SMILES:
CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1cc[nH]n1 |r|
Structure:
