Reaction Details 
Report a problem with these data
Report a problem with these dataTarget
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Ligand
BDBM50598843
Substrate
n/a
Meas. Tech.
ChEMBL_2228094 (CHEMBL5141607)
IC50
626±n/a nM
Citation
Szychowski, J; Papp, R; Dietrich, E; Liu, B; Vallée, F; Leclaire, ME; Fourtounis, J; Martino, G; Perryman, AL; Pau, V; Yin, SY; Mader, P; Roulston, A; Truchon, JF; Marshall, CG; Diallo, M; Duffy, NM; Stocco, R; Godbout, C; Bonneau-Fortin, A; Kryczka, R; Bhaskaran, V; Mao, D; Orlicky, S; Beaulieu, P; Turcotte, P; Kurinov, I; Sicheri, F; Mamane, Y; Gallant, M; Black, WC Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J Med Chem 65:10251-10284 (2022) [PubMed] ArticleMore Info.:
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:
BDBM50598843
Synonyms:
CHEMBL5208938
Type:
Small organic molecule
Emp. Form.:
C15H15N5O2
Mol. Mass.:
297.3119
SMILES:
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nccnc12 |(2.29,-1.88,;2.58,-.68,;4.06,-.25,;4.42,1.25,;3.31,2.31,;3.6,3.51,;1.83,1.88,;.94,2.73,;1.47,.38,;-.03,.06,;-.66,-1.35,;-.04,-2.42,;-2.19,-1.19,;-3.22,-2.33,;-4.42,-2.08,;-2.84,-3.51,;-2.51,.32,;-3.85,1.09,;-3.85,2.63,;-2.51,3.4,;-1.18,2.63,;-1.18,1.09,)|
Structure:
