Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase 11
Ligand
BDBM354879
Substrate
n/a
Meas. Tech.
Radiometric Filter Plate MLK3 Assay
IC50
<100±n/a nM
Citation
 Gelbard, HA; Dewhurst, S; Gendelman, HE Mixed lineage kinase inhibitors for HIV/AIDS therapies US Patent  US10485800 Publication Date 11/26/2019 
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:
BDBM354879
Synonyms:
Preparation of 4-{5-[3-(4-methyl-piperazin-1-ylmethyl)-phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}-benzamide | US10485800, Example 156 | US9814704, Example 156
Type:
Small organic molecule
Emp. Form.:
C26H27N5O
Mol. Mass.:
425.5255
SMILES:
CN1CCN(Cc2cccc(c2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1
Structure:
Search PDB for entries with ligand similarity: