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Target
Mitogen-activated protein kinase kinase kinase 11
Ligand
BDBM50059889
Substrate
n/a
Meas. Tech.
ChEMBL_988713 (CHEMBL2438984)
Kd
20±n/a nM
Citation
 Goodfellow, VS; Loweth, CJ; Ravula, SB; Wiemann, T; Nguyen, T; Xu, Y; Todd, DE; Sheppard, D; Pollack, S; Polesskaya, O; Marker, DF; Dewhurst, S; Gelbard, HA Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3. J Med Chem 56:8032-48 (2013) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase 11
Synonyms:
M3K11_HUMAN | MAP3K11 | MLK3 | Mitogen-activated protein kinase kinase kinase 11 | Mixed Lineage Kinase 3 (MLK3) | PTK1 | SPRK
Type:
PROTEIN
Mol. Mass.:
92696.93
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1460565
Residue:
847
Sequence:
MEPLKSLFLKSPLGSWNGSGSGGGGGGGGGRPEGSPKAAGYANPVWTALFDYEPSGQDELALRKGDRVEVLSRDAAISGDEGWWAGQVGGQVGIFPSNYVSRGGGPPPCEVASFQELRLEEVIGIGGFGKVYRGSWRGELVAVKAARQDPDEDISVTAESVRQEARLFAMLAHPNIIALKAVCLEEPNLCLVMEYAAGGPLSRALAGRRVPPHVLVNWAVQIARGMHYLHCEALVPVIHRDLKSNNILLLQPIESDDMEHKTLKITDFGLAREWHKTTQMSAAGTYAWMAPEVIKASTFSKGSDVWSFGVLLWELLTGEVPYRGIDCLAVAYGVAVNKLTLPIPSTCPEPFAQLMADCWAQDPHRRPDFASILQQLEALEAQVLREMPRDSFHSMQEGWKREIQGLFDELRAKEKELLSREEELTRAAREQRSQAEQLRRREHLLAQWELEVFERELTLLLQQVDRERPHVRRRRGTFKRSKLRARDGGERISMPLDFKHRITVQASPGLDRRRNVFEVGPGDSPTFPRFRAIQLEPAEPGQAWGRQSPRRLEDSSNGERRACWAWGPSSPKPGEAQNGRRRSRMDEATWYLDSDDSSPLGSPSTPPALNGNPPRPSLEPEEPKRPVPAERGSSSGTPKLIQRALLRGTALLASLGLGRDLQPPGGPGRERGESPTTPPTPTPAPCPTEPPPSPLICFSLKTPDSPPTPAPLLLDLGIPVGQRSAKSPRREEEPRGGTVSPPPGTSRSAPGTPGTPRSPPLGLISRPRPSPLRSRIDPWSFVSAGPRPSPLPSPQPAPRRAPWTLFPDSDPFWDSPPANPFQGGPQDCRAQTKDMGAQAPWVPEAGP
  
Inhibitor
Name:
BDBM50059889
Synonyms:
(staurosporine)3-methoxy-2-methyl-4-methylamino-(2S,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 12-[3-methoxy-2,6-dimethyl-4-methylamino-(2S,3R,4R,6S)-tetrahydro-2H-2-pyranyl]-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | 12-[3-methoxy-6-methyl-4-methylamino-(2S,3R,4R,6S)-tetrahydro-2H-2-pyranyl]-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | 15,16-dimethoxy-15-methyl-17-methylamino-(15S)-4,14,20-triazaheptacyclo[12.12.2.02,6.07,28.08,13.020,27.021,26]octacosa-1(27),2(6),7(28),8(13),9,11,21(26),22,24-nonaen-3-one | 2-Amino-4-(2-amino-2-phenyl-ethyl)-6-(2-hydroxy-phenyl)-nicotinonitrile | 3-methoxy-2-methyl-4-methylamino-(2R,3S,4S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2R,3S,4S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one(Staurosporine) | 3-methoxy-2-methyl-4-methylamino-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21,23,25-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2S,3R,4R)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2S,3R,4R)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2S,3R,4R,6R)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2S,3R,4R,6R)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-(2S,3S,4S,6R)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21,23,25-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 3-methoxy-2-methyl-4-methylamino-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaen-16-one | 3-methoxy-4-methylamino-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 3-methoxy-4-methylamino-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one | 8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one,2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-10-(methylamino)-, (8alpha,9beta,10beta,12alpha)-(+)- | AM-2282 | CHEMBL162 | Indolocarbazole nitrogen derivative | Isoindolinone Urea derivative | staurosporin
Type:
Small organic molecule
Emp. Form.:
C28H26N4O3
Mol. Mass.:
466.531
SMILES:
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Structure:
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