Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Ligand
BDBM50598839
Substrate
n/a
Meas. Tech.
ChEMBL_2228087 (CHEMBL5141600)
IC50
5.0±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] More 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:
BDBM50598839
Synonyms:
CHEMBL5184178
Type:
Small organic molecule
Emp. Form.:
C24H23N5O2
Mol. Mass.:
413.4717
SMILES:
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(ccc3nc12)C1=CCCC1 |t:30,(4.54,-3.9,;4.84,-2.71,;6.31,-2.27,;6.68,-.78,;5.56,.29,;5.86,1.48,;4.09,-.15,;3.19,.7,;3.73,-1.64,;2.22,-1.97,;1.59,-3.37,;2.21,-4.44,;.06,-3.21,;-.97,-4.36,;-2.17,-4.1,;-.58,-5.53,;-.26,-1.71,;-1.59,-.94,;-1.59,.6,;-2.93,1.37,;-2.93,2.91,;-1.59,3.68,;-.26,2.91,;-.26,1.37,;1.07,.6,;1.07,-.94,;-4.26,3.68,;-5.65,3.05,;-6.68,4.2,;-5.91,5.53,;-4.4,5.21,)|
Structure:
