Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 2
Ligand
BDBM5541
Substrate
n/a
Meas. Tech.
ChEMBL_501549 (CHEMBL986816)
IC50
2300±n/a nM
Citation
 Lu, Y; Shi, T; Wang, Y; Yang, H; Yan, X; Luo, X; Jiang, H; Zhu, W Halogen bonding--a novel interaction for rational drug design? J Med Chem 52:2854-62 (2009) [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:
BDBM5541
Synonyms:
4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phenol | 6-Cyclohexylmethoxy-2-(4 -hydroxyanilino)purine | CHEMBL340813 | O6-Cyclohexylmethylguanine deriv. 25
Type:
Small organic molecule
Emp. Form.:
C18H21N5O2
Mol. Mass.:
339.3916
SMILES:
Oc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
Structure:
Search PDB for entries with ligand similarity: