Reaction Details 
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Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Ligand
BDBM50598845
Substrate
n/a
Meas. Tech.
ChEMBL_2228094 (CHEMBL5141607)
IC50
42±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:
BDBM50598845
Synonyms:
CHEMBL5201803
Type:
Small organic molecule
Emp. Form.:
C18H19N5O2
Mol. Mass.:
337.3758
SMILES:
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C1CC1 |(3.4,-2.47,;3.69,-1.27,;5.17,-.84,;5.53,.66,;4.42,1.72,;4.71,2.92,;2.94,1.29,;2.05,2.14,;2.58,-.21,;1.07,-.53,;.45,-1.94,;1.06,-3.01,;-1.09,-1.78,;-2.11,-2.92,;-3.32,-2.67,;-1.73,-4.1,;-1.4,-.27,;-2.74,.5,;-2.74,2.04,;-1.4,2.81,;-.07,2.04,;-.07,.5,;-4.07,2.81,;-5.53,2.81,;-4.76,4.1,)|
Structure:
