Reaction Details Report a problem with these data
Target
Receptor-interacting serine/threonine-protein kinase 3
Ligand
BDBM392985
Substrate
n/a
Meas. Tech.
RIPK3 HTRF Kinase Assay
IC50
<30±n/a nM
Citation
 Hart, AC; Pitts, WJ; Mastalerz, H; Guo, J; Brown, GD Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors US Patent  US10301306 Publication Date 5/28/2019 
Target
Name:
Receptor-interacting serine/threonine-protein kinase 3
Synonyms:
RIP-3 | RIP-like protein kinase 3 | RIP3 | RIPK3 | RIPK3_HUMAN | Receptor-interacting protein 3
Type:
PROTEIN
Mol. Mass.:
56886.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_881455
Residue:
518
Sequence:
MSCVKLWPSGAPAPLVSIEELENQELVGKGGFGTVFRAQHRKWGYDVAVKIVNSKAISREVKAMASLDNEFVLRLEGVIEKVNWDQDPKPALVTKFMENGSLSGLLQSQCPRPWPLLCRLLKEVVLGMFYLHDQNPVLLHRDLKPSNVLLDPELHVKLADFGLSTFQGGSQSGTGSGEPGGTLGYLAPELFVNVNRKASTASDVYSFGILMWAVLAGREVELPTEPSLVYEAVCNRQNRPSLAELPQAGPETPGLEGLKELMQLCWSSEPKDRPSFQECLPKTDEVFQMVENNMNAAVSTVKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK
  
Inhibitor
Name:
BDBM392985
Synonyms:
US10301306, Example 183
Type:
Small organic molecule
Emp. Form.:
C25H24FN5O2
Mol. Mass.:
445.4888
SMILES:
COc1cnccc1-c1c(c2c(CCNC2=O)n1Cc1cc(C)nn1C)-c1ccc(F)cc1 |(-2.87,-4.05,;-2.1,-2.72,;-2.87,-1.39,;-4.41,-1.39,;-5.18,-.05,;-4.41,1.28,;-2.87,1.28,;-2.1,-.05,;-.56,-.05,;.34,1.19,;1.81,.72,;1.81,-.82,;3.14,-1.59,;4.47,-.82,;4.47,.72,;3.14,1.49,;3.14,3.03,;.34,-1.3,;-.06,-2.79,;1.03,-3.88,;2.56,-3.71,;3.19,-5.12,;4.7,-5.44,;2.05,-6.15,;.71,-5.38,;-.69,-6.01,;-.06,2.68,;1.03,3.77,;.63,5.26,;-.85,5.66,;-1.25,7.14,;-1.94,4.57,;-1.54,3.08,)|
Structure:
Search PDB for entries with ligand similarity: