Reaction Details Report a problem with these data
Target
Receptor-interacting serine/threonine-protein kinase 2
Ligand
BDBM50128684
Substrate
n/a
Meas. Tech.
ChEMBL_1522562 (CHEMBL3631915)
IC50
6.3±n/a nM
Citation
 Charnley, AK; Convery, MA; Lakdawala Shah, A; Jones, E; Hardwicke, P; Bridges, A; Ouellette, M; Totoritis, R; Schwartz, B; King, BW; Wisnoski, DD; Kang, J; Eidam, PM; Votta, BJ; Gough, PJ; Marquis, RW; Bertin, J; Casillas, L Crystal structures of human RIP2 kinase catalytic domain complexed with ATP-competitive inhibitors: Foundations for understanding inhibitor selectivity. Bioorg Med Chem 23:7000-6 (2015) [PubMed]  Article 
Target
Name:
Receptor-interacting serine/threonine-protein kinase 2
Synonyms:
CARDIAK | RICK | RIP2 | RIPK2 | RIPK2_HUMAN | Serine/threonine-protein kinase RIPK2 | Tyrosine-protein kinase RIPK2 | receptor-interacting serine/threonine-protein kinase 2
Type:
Protein
Mol. Mass.:
61201.30
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
540
Sequence:
MNGEAICSALPTIPYHKLADLRYLSRGASGTVSSARHADWRVQVAVKHLHIHTPLLDSERKDVLREAEILHKARFSYILPILGICNEPEFLGIVTEYMPNGSLNELLHRKTEYPDVAWPLRFRILHEIALGVNYLHNMTPPLLHHDLKTQNILLDNEFHVKIADFGLSKWRMMSLSQSRSSKSAPEGGTIIYMPPENYEPGQKSRASIKHDIYSYAVITWEVLSRKQPFEDVTNPLQIMYSVSQGHRPVINEESLPYDIPHRARMISLIESGWAQNPDERPSFLKCLIELEPVLRTFEEITFLEAVIQLKKTKLQSVSSAIHLCDKKKMELSLNIPVNHGPQEESCGSSQLHENSGSPETSRSLPAPQDNDFLSRKAQDCYFMKLHHCPGNHSWDSTISGSQRAAFCDHKTTPCSSAIINPLSTAGNSERLQPGIAQQWIQSKREDIVNQMTEACLNQSLDALLSRDLIMKEDYELVSTKPTRTSKVRQLLDTTDIQGEEFAKVIVQKLKDNKQMGLQPYPEILVVSRSPSLNLLQNKSM
  
Inhibitor
Name:
BDBM50128684
Synonyms:
CHEMBL3628627
Type:
Small organic molecule
Emp. Form.:
C30H26F2N6O5S3
Mol. Mass.:
684.756
SMILES:
CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)N2CCOCC2)c1
Structure:
Search PDB for entries with ligand similarity: