Reaction Details Report a problem with these data
Target
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Ligand
BDBM4213
Substrate
n/a
Meas. Tech.
ChEMBL_1828851 (CHEMBL4328725)
Ki
8.1±n/a nM
Citation
 Najjar, A; Platzer, C; Luft, A; Aßmann, CA; Elghazawy, NH; Erdmann, F; Sippl, W; Schmidt, M Computer-aided design, synthesis and biological characterization of novel inhibitors for PKMYT1. Eur J Med Chem 161:479-492 (2019) [PubMed]  Article 
Target
Name:
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Synonyms:
MYT1 | PKMYT1 | PMYT1_HUMAN | Tyrosine- and threonine-specific cdc2-inhibitory kinase
Type:
PROTEIN
Mol. Mass.:
54523.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_587209
Residue:
499
Sequence:
MLERPPALAMPMPTEGTPPPLSGTPIPVPAYFRHAEPGFSLKRPRGLSRSLPPPPPAKGSIPISRLFPPRTPGWHQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQPRAWGVLWCMAAEALSRGWALWQALLALLCWLWHGLAHPASWLQPLGPPATPPGSPPCSLLLDSSLSSNWDDDSLGPSLSPEAVLARTVGSTSTPRSRCTPRDALDLSDINSEPPRGSFPSFEPRNLLSLFEDTLDPT
  
Inhibitor
Name:
BDBM4213
Synonyms:
6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one | PD173952
Type:
Small organic molecule
Emp. Form.:
C24H21Cl2N5O2
Mol. Mass.:
482.362
SMILES:
Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)|
Structure:
Search PDB for entries with ligand similarity: