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Target
Cyclin-dependent kinase 2
Ligand
BDBM7501
Substrate
n/a
Meas. Tech.
ChEMBL_50664 (CHEMBL660787)
IC50
30±n/a nM
Citation
 Sims, PA; Wong, CF; McCammon, JA A computational model of binding thermodynamics: the design of cyclin-dependent kinase 2 inhibitors. J Med Chem 46:3314-25 (2003) [PubMed]  Article 
Target
Name:
Cyclin-dependent kinase 2
Synonyms:
CDK2 | CDK2-Kinase | CDK2_HUMAN | CDKN2 | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | Protein cereblon/Cyclin-dependent kinase 2 | p33 protein kinase
Type:
Enzyme Subunit
Mol. Mass.:
33938.17
Organism:
Homo sapiens (Human)
Description:
P24941
Residue:
298
Sequence:
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
  
Inhibitor
Name:
BDBM7501
Synonyms:
4-{(Z)-[4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3-oxo-1-benzofuran-2(3H)-ylidene]methyl}benzenesulfonamide | 4-{[(2Z)-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}benzene-1-sulfonamide | Benzofuranone deriv. 7 | CHEMBL48362
Type:
Small organic molecule
Emp. Form.:
C21H22N2O6S
Mol. Mass.:
430.474
SMILES:
CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
Structure:
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