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Target
Kinesin-like protein KIF11
Ligand
BDBM90458
Substrate
n/a
Meas. Tech.
ChEMBL_1801095 (CHEMBL4273387)
IC50
37200±n/a nM
Citation
 Talapatra, SK; Tham, CL; Guglielmi, P; Cirilli, R; Chandrasekaran, B; Karpoormath, R; Carradori, S; Kozielski, F Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors. Eur J Med Chem 156:641-651 (2018) [PubMed]  Article 
Target
Name:
Kinesin-like protein KIF11
Synonyms:
EG5 | KIF11 | KIF11_HUMAN | KNSL1 | Kinesin Spindle Protein Eg5 | Kinesin-like protein 1 | TRIP5 | kinesin spindle protein
Type:
PROTEIN
Mol. Mass.:
119138.97
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1457426
Residue:
1056
Sequence:
MASQPNSSAKKKEEKGKNIQVVVRCRPFNLAERKASAHSIVECDPVRKEVSVRTGGLADKSSRKTYTFDMVFGASTKQIDVYRSVVCPILDEVIMGYNCTIFAYGQTGTGKTFTMEGERSPNEEYTWEEDPLAGIIPRTLHQIFEKLTDNGTEFSVKVSLLEIYNEELFDLLNPSSDVSERLQMFDDPRNKRGVIIKGLEEITVHNKDEVYQILEKGAAKRTTAATLMNAYSSRSHSVFSVTIHMKETTIDGEELVKIGKLNLVDLAGSENIGRSGAVDKRAREAGNINQSLLTLGRVITALVERTPHVPYRESKLTRILQDSLGGRTRTSIIATISPASLNLEETLSTLEYAHRAKNILNKPEVNQKLTKKALIKEYTEEIERLKRDLAAAREKNGVYISEENFRVMSGKLTVQEEQIVELIEKIGAVEEELNRVTELFMDNKNELDQCKSDLQNKTQELETTQKHLQETKLQLVKEEYITSALESTEEKLHDAASKLLNTVEETTKDVSGLHSKLDRKKAVDQHNAEAQDIFGKNLNSLFNNMEELIKDGSSKQKAMLEVHKTLFGNLLSSSVSALDTITTVALGSLTSIPENVSTHVSQIFNMILKEQSLAAESKTVLQELINVLKTDLLSSLEMILSPTVVSILKINSQLKHIFKTSLTVADKIEDQKKELDGFLSILCNNLHELQENTICSLVESQKQCGNLTEDLKTIKQTHSQELCKLMNLWTERFCALEEKCENIQKPLSSVQENIQQKSKDIVNKMTFHSQKFCADSDGFSQELRNFNQEGTKLVEESVKHSDKLNGNLEKISQETEQRCESLNTRTVYFSEQWVSSLNEREQELHNLLEVVSQCCEASSSDITEKSDGRKAAHEKQHNIFLDQMTIDEDKLIAQNLELNETIKIGLTKLNCFLEQDLKLDIPTGTTPQRKSYLYPSTLVRTEPREHLLDQLKRKQPELLMMLNCSENNKEETIPDVDVEEAVLGQYTEEPLSQEPSVDAGVDCSSIGGVPFFQHKKSHGKDKENRGINTLERSKVEETTEHLVTKSRLPLRAQINL
  
Inhibitor
Name:
BDBM90458
Synonyms:
MLS000693062 | N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide | N-(4-ethanoyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)ethanamide | N-[4-acetyl-5-methyl-5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide | N-[4-acetyl-5-methyl-5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide | SMR000285675 | cid_3149846
Type:
Small organic molecule
Emp. Form.:
C12H14N4O2S
Mol. Mass.:
278.33
SMILES:
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccn1 |t:4|
Structure:
Search PDB for entries with ligand similarity: