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Target
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
Ligand
BDBM6830
Substrate
Rb(21)
Meas. Tech.
CDK Kinase Inhibition Assay
Temperature
298.15±n/a K
IC50
23±n/a nM
Comments
extracted
Citation
 Engler, TA; Furness, K; Malhotra, S; Sanchez-Martinez, C; Shih, C; Xie, W; Zhu, G; Zhou, X; Conner, S; Faul, MM; Sullivan, KA; Kolis, SP; Brooks, HB; Patel, B; Schultz, RM; DeHahn, TB; Kirmani, K; Spencer, CD; Watkins, SA; Considine, EL; Dempsey, JA; Ogg, CA; Stamm, NB; Anderson, BD; Campbell, RM; Vasudevan, V; Lytle, ML Novel, potent and selective cyclin D1/CDK4 inhibitors: indolo[6,7-a]pyrrolo[3,4-c]carbazoles. Bioorg Med Chem Lett 13:2261-7 (2003) [PubMed]  Article 
Target
Name:
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
Synonyms:
CDK4/CycD | CDK4/CycD1 | CDK4/Cyclin D1 | CDK4/D1 | Cyclin-Dependent Kinase 4 (CDK4) | Cyclin-dependent kinase 4 | Cyclin-dependent kinase 4/G1/S-specific cyclin D1 | Cyclin-dependent kinase 4/cyclin D1
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
CDK4/D1 complexes were purified from insect cells co-infected with baculovirus vectors containing each of the components.
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-dependent kinase 4
Synonyms:
CDK4 | CDK4_HUMAN | Cell division protein kinase 4 | Cyclin-dependent kinase 4 (CDK 4) | PSK-J3
Type:
Enzyme Subunit
Mol. Mass.:
33731.96
Organism:
Homo sapiens (Human)
Description:
P11802
Residue:
303
Sequence:
MATSRYEPVAEIGVGAYGTVYKARDPHSGHFVALKSVRVPNGGGGGGGLPISTVREVALLRRLEAFEHPNVVRLMDVCATSRTDREIKVTLVFEHVDQDLRTYLDKAPPPGLPAETIKDLMRQFLRGLDFLHANCIVHRDLKPENILVTSGGTVKLADFGLARIYSYQMALTPVVVTLWYRAPEVLLQSTYATPVDMWSVGCIFAEMFRRKPLFCGNSEADQLGKIFDLIGLPPEDDWPRDVSLPRGAFPPRGPRPVQSVVPEMEESGAQLLLEMLTFNPHKRISAFRALQHSYLHKDEGNPE
  
Component 2
Name:
G1/S-specific cyclin-D1
Synonyms:
B-cell lymphoma 1 protein | BCL-1 | BCL-1 oncogene | BCL1 | CCND1 | CCND1_HUMAN | PRAD1 | PRAD1 oncogene
Type:
Enzyme Subunit
Mol. Mass.:
33717.70
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
295
Sequence:
MEHQLLCCEVETIRRAYPDANLLNDRVLRAMLKAEETCAPSVSYFKCVQKEVLPSMRKIVATWMLEVCEEQKCEEEVFPLAMNYLDRFLSLEPVKKSRLQLLGATCMFVASKMKETIPLTAEKLCIYTDNSIRPEELLQMELLLVNKLKWNLAAMTPHDFIEHFLSKMPEAEENKQIIRKHAQTFVALCATDVKFISNPPSMVAAGSVVAAVQGLNLRSPNNFLSYYRLTRFLSRVIKCDPDCLRACQEQIEALLESSLRQAQQNMDPKAAEEEEEEEEEVDLACTPTDVRDVDI
  
Inhibitor
Name:
BDBM6830
Synonyms:
3-{2-[(4-hydroxycyclohexyl)amino]ethyl}-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione | indolocarbazole deriv. 11m
Type:
Small organic molecule
Emp. Form.:
C30H30N4O4
Mol. Mass.:
510.5836
SMILES:
COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r,wU:15.16,wD:12.12,(-7.72,-2.27,;-7.56,-.74,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-3.5,-.4,;-4.91,-1.02,;-2.09,-1.02,;-1.77,-2.53,;-2.92,-3.56,;-2.6,-5.06,;-3.74,-6.1,;-5.07,-5.33,;-6.41,-6.1,;-6.41,-7.64,;-7.74,-8.41,;-5.07,-8.41,;-3.74,-7.64,;-1.06,.12,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,;3.82,2.6,;3.5,4.11,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Rb(21)
Synonyms:
C-terminal retinoblastoma protein | RB1 | RB_HUMAN
Type:
Other Protein Type
Mol. Mass.:
17129.60
Organism:
Homo sapiens (Human)
Description:
Amino acids 769-921 of human retinoblastoma 1.
Residue:
153
Sequence:
LQYASTRPPTLSPIPHIPRSPYKFPSSPLRIPGGNIYISPLKSPYKISEGLPTPTKMTPRSRILVSIGESFGTSEKFQKINQMVCNSDRVLKRSAEGSNPPKPLKKLRFDIEGSDEADGSKHLPGESKFQQKLAEMTSTRTRMQKQKMNDSMD