Reaction Details 
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Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Ligand
BDBM50598834
Substrate
n/a
Meas. Tech.
ChEMBL_2228087 (CHEMBL5141600)
IC50
4.0±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:
BDBM50598834
Synonyms:
CHEMBL5198360
Type:
Small organic molecule
Emp. Form.:
C20H16N6O2
Mol. Mass.:
372.38
SMILES:
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C#N)c3nc12 |(2.67,-3.29,;2.96,-2.09,;4.44,-1.66,;4.8,-.16,;3.69,.9,;3.98,2.1,;2.21,.47,;1.32,1.32,;1.85,-1.03,;.34,-1.35,;-.28,-2.76,;.33,-3.83,;-1.81,-2.6,;-2.84,-3.74,;-4.05,-3.49,;-2.46,-4.91,;-2.13,-1.09,;-3.47,-.32,;-3.47,1.22,;-4.8,1.99,;-4.8,3.53,;-3.47,4.3,;-2.13,3.53,;-.8,4.3,;.27,4.91,;-2.13,1.99,;-.8,1.22,;-.8,-.32,)|
Structure:
