Reaction Details Report a problem with these data
Target
Calcium/calmodulin-dependent protein kinase type II subunit alpha
Ligand
BDBM6830
Substrate
Autocamtide-2
Meas. Tech.
CDK Kinase Inhibition Assay
Temperature
298.15±n/a K
IC50
1170±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:
Calcium/calmodulin-dependent protein kinase type II subunit alpha
Synonyms:
CaM Kinase II | Calcium/calmodulin-dependent protein kinase type II, rat brain | Camk2a | KCC2A_RAT | calcium/calmodulin-dependent protein kinase II alpha subunit
Type:
Enzyme Mixture
Mol. Mass.:
54120.65
Organism:
Rattus norvegicus (rat)
Description:
Consists of subunits of M.W. 50,000 and 58,000-60,000 in a 3:1 ratio.
Residue:
478
Sequence:
MATITCTRFTEEYQLFEELGKGAFSVVRRCVKVLAGQEYAAKIINTKKLSARDHQKLEREARICRLLKHPNIVRLHDSISEEGHHYLIFDLVTGGELFEDIVAREYYSEADASHCIQQILEAVLHCHQMGVVHRDLKPENLLLASKLKGAAVKLADFGLAIEVEGEQQAWFGFAGTPGYLSPEVLRKDPYGKPVDLWACGVILYILLVGYPPFWDEDQHRLYQQIKAGAYDFPSPEWDTVTPEAKDLINKMLTINPSKRITAAEALKHPWISHRSTVASCMHRQETVDCLKKFNARRKLKGAILTTMLATRNFSGGKSGGNKKNDGVKESSESTNTTIEDEDTKVRKQEIIKVTEQLIEAISNGDFESYTKMCDPGMTAFEPEALGNLVEGLDFHRFYFENLWSRNSKPVHTTILNPHIHLMGDESACIAYIRITQYLDAGGIPRTAQSEETRVWHRRDGKWQIVHFHRSGAPSVLPH
  
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:
Autocamtide-2
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3697.73
Organism:
n/a
Description:
n/a
Residue:
36
Sequence:
LYSLYSALALEARGARGGLNGLTHRVALASPALALE