Reaction Details 
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Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Ligand
BDBM50598853
Substrate
n/a
Meas. Tech.
ChEMBL_2228094 (CHEMBL5141607)
IC50
108±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:
BDBM50598853
Synonyms:
CHEMBL5169330
Type:
Small organic molecule
Emp. Form.:
C16H17N5O2
Mol. Mass.:
311.3385
SMILES:
Cc1cnc2n(c(N)c(C(N)=O)c2n1)-c1c(C)ccc(O)c1C |(-4.67,3.24,;-3.6,2.63,;-2.27,3.4,;-.93,2.63,;-.93,1.09,;.21,.06,;-.42,-1.35,;.2,-2.42,;-1.95,-1.19,;-2.98,-2.34,;-4.18,-2.08,;-2.59,-3.51,;-2.27,.32,;-3.6,1.09,;1.72,.38,;2.83,-.68,;2.54,-1.88,;4.31,-.25,;4.67,1.25,;3.56,2.31,;3.85,3.51,;2.08,1.88,;1.18,2.73,)|
Structure:
