Target
Cyclin-dependent kinase 5 activator 1
Ligand
BDBM50261163
Substrate
n/a
Meas. Tech.
ChEMBL_1695674 (CHEMBL4046564)
IC50
4.8±n/a nM
Citation
 Park, SJKim, EYoo, MLee, JYPark, CHHwang, JYHa, JD Synthesis and biological evaluation of N9-cis-cyclobutylpurine derivatives for use as cyclin-dependent kinase (CDK) inhibitors. Bioorg Med Chem Lett 27:4399-4404 (2017) [PubMed]  Article 
Target
Name:
Cyclin-dependent kinase 5 activator 1
Synonyms:
CDK5/p35 | Cyclin-Dependent Kinase 5 (CDK5) | Cyclin-dependent kinase 5 regulatory subunit 1 | Cyclin-dependent kinase 5/CDK5 activator 1
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-dependent kinase 5
Synonyms:
CDK5 | CDK5_HUMAN | CDKN5 | Cell division protein kinase 5 | Cyclin-dependent kinase 5 (CDK5/ p25) | Cyclin-dependent kinase 5 (CDK5/p35) | Cyclin-dependent-like kinase 5 | Cyclin-dependent-like kinase 5 (CDK5) | PSSALRE | Serine/threonine-protein kinase PSSALRE | Tau protein kinase II catalytic subunit
Type:
Enzyme Subunit
Mol. Mass.:
33308.61
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
292
Sequence:
MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP
  
Component 2
Name:
Cyclin-dependent kinase 5 activator 1
Synonyms:
CD5R1_HUMAN | CDK5R | CDK5R1 | Cyclin-Dependent Kinase 5 Activator 1, p35 | Cyclin-dependent kinase 5 (CDK5/p25) | Cyclin-dependent kinase 5 regulatory subunit 1 | NCK5A | TPKII regulatory subunit | p35
Type:
Enzyme Subunit
Mol. Mass.:
34077.43
Organism:
Homo sapiens (Human)
Description:
Q15078
Residue:
307
Sequence:
MGTVLSLSPSYRKATLFEDGAATVGHYTAVQNSKNAKDKNLKRHSIISVLPWKRIVAVSAKKKNSKKVQPNSSYQNNITHLNNENLKKSLSCANLSTFAQPPPAQPPAPPASQLSGSQTGGSSSVKKAPHPAVTSAGTPKRVIVQASTSELLRCLGEFLCRRCYRLKHLSPTDPVLWLRSVDRSLLLQGWQDQGFITPANVVFLYMLCRDVISSEVGSDHELQAVLLTCLYLSYSYMGNEISYPLKPFLVESCKEAFWDRCLSVINLMSSKMLQINADPHYFTQVFSDLKNESGQEDKKRLLLGLDR
  
Inhibitor
Name:
BDBM50261163
Synonyms:
CHEMBL4081756
Type:
Small organic molecule
Emp. Form.:
C23H22BrN7O
Mol. Mass.:
492.371
SMILES:
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r,wU:12.15,10.10,(36.41,-23.55,;35.32,-24.63,;33.83,-24.23,;32.74,-25.33,;33.14,-26.81,;34.63,-27.21,;35.72,-26.12,;35.02,-28.69,;36.54,-29.01,;33.99,-29.84,;32.49,-29.52,;31.2,-30.36,;30.36,-29.07,;31.65,-28.23,;28.86,-28.74,;28.23,-27.34,;26.7,-27.5,;26.37,-29.01,;25.04,-29.78,;23.71,-29.01,;22.38,-29.78,;21.04,-29.01,;21.04,-27.47,;19.7,-26.7,;18.37,-27.47,;18.37,-29.01,;17.04,-29.78,;19.7,-29.78,;25.04,-31.32,;26.37,-32.09,;27.71,-31.32,;27.71,-29.78,)|
Structure:
Search PDB for entries with ligand similarity: