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Target
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
Ligand
BDBM50420305
Substrate
n/a
Meas. Tech.
ChEMBL_839770 (CHEMBL2089692)
IC50
120±n/a nM
Citation
 Cho, YS; Angove, H; Brain, C; Chen, CH; Cheng, H; Cheng, R; Chopra, R; Chung, K; Congreve, M; Dagostin, C; Davis, DJ; Feltell, R; Giraldes, J; Hiscock, SD; Kim, S; Kovats, S; Lagu, B; Lewry, K; Loo, A; Lu, Y; Luzzio, M; Maniara, W; McMenamin, R; Mortenson, PN; Benning, R; Rees, DC; Shen, J; Smith, T; Wang, Y; Williams, G; Woolford, AJ; Wrona, W; Xu, M; Yang, F; Howard, S Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett 3:445-449 (2012) [PubMed]  Article 
Target
Name:
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
Synonyms:
CDK6/CycD3 | CDK6/D3 | CDK6/G1/S-specific cyclin D3 | CDK6/cyclin D3 | Cyclin-dependent kinase 6 | Cyclin-dependent kinase 6/G1/S-specific cyclin D3
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-dependent kinase 6
Synonyms:
CDK6 | CDK6_HUMAN | CDKN6 | Cell division protein kinase 6 | Cyclin-dependent kinase 6 (CDK 6) | Serine/threonine-protein kinase PLSTIRE
Type:
Enzyme Subunit
Mol. Mass.:
36937.42
Organism:
Homo sapiens (Human)
Description:
Q00534
Residue:
326
Sequence:
MEKDGLCRADQQYECVAEIGEGAYGKVFKARDLKNGGRFVALKRVRVQTGEEGMPLSTIREVAVLRHLETFEHPNVVRLFDVCTVSRTDRETKLTLVFEHVDQDLTTYLDKVPEPGVPTETIKDMMFQLLRGLDFLHSHRVVHRDLKPQNILVTSSGQIKLADFGLARIYSFQMALTSVVVTLWYRAPEVLLQSSYATPVDLWSVGCIFAEMFRRKPLFRGSSDVDQLGKILDVIGLPGEEDWPRDVALPRQAFHSKSAQPIEKFVTDIDELGKDLLLKCLTFNPAKRISAYSALSHPYFQDLERCKENLDSHLPPSQNTSELNTA
  
Component 2
Name:
G1/S-specific cyclin-D3
Synonyms:
CCND3 | CCND3_HUMAN
Type:
Enzyme
Mol. Mass.:
32521.90
Organism:
Homo sapiens (Human)
Description:
P30281
Residue:
292
Sequence:
MELLCCEGTRHAPRAGPDPRLLGDQRVLQSLLRLEERYVPRASYFQCVQREIKPHMRKMLAYWMLEVCEEQRCEEEVFPLAMNYLDRYLSCVPTRKAQLQLLGAVCMLLASKLRETTPLTIEKLCIYTDHAVSPRQLRDWEVLVLGKLKWDLAAVIAHDFLAFILHRLSLPRDRQALVKKHAQTFLALCATDYTFAMYPPSMIATGSIGAAVQGLGACSMSGDELTELLAGITGTEVDCLRACQEQIEAALRESLREASQTSSSPAPKAPRGSSSQGPSQTSTPTDVTAIHL
  
Inhibitor
Name:
BDBM50420305
Synonyms:
CHEMBL2089057 | US8598217, 173
Type:
Small organic molecule
Emp. Form.:
C27H30N8O
Mol. Mass.:
482.5801
SMILES:
CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C |(10.17,-39.75,;9.4,-38.41,;10.17,-37.08,;7.86,-38.41,;7.09,-39.74,;5.55,-39.75,;4.79,-38.41,;5.54,-37.08,;7.09,-37.08,;3.25,-38.42,;2.47,-37.08,;.94,-37.09,;.18,-38.42,;-1.32,-38.74,;-1.49,-40.28,;-.07,-40.9,;.95,-39.75,;2.48,-39.75,;-2.82,-41.05,;-2.82,-42.59,;-4.15,-40.28,;-5.49,-41.06,;-6.83,-40.29,;-6.82,-38.74,;-8.16,-37.97,;-9.5,-37.2,;-5.49,-37.97,;-4.16,-38.73,;-5.51,-36.43,;-6.76,-35.53,;-8.22,-36.01,;-6.29,-34.06,;-4.75,-34.06,;-3.85,-32.81,;-4.27,-35.52,;-2.8,-35.99,)|
Structure:
Search PDB for entries with ligand similarity: