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Drug-Target Interaction

Drug

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PubChem ID:160355
Structure:
Synonyms:
"insolution™ roscovitine"
(2r)-2-{[6-(benzylamino)-9-isopropyl-9h-purin-2-yl]amino}-1-butanol
(R)-Roscovitine
1-Butanol,
1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2- yl)amino)-, (2R)-
1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2- yl)amino)-, (2R)-
1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2- yl)amino)-, (R)-
1-Butanol, 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-, (2R)-
186692-46-6
2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]- 9H-purin-2-yl]amino]-(R)-1-butanol
2a4l
3ddq
6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine
AIDS-022527
AIDS022527
BCBcMAP01_000013
Bio1_000302
Bio1_000791
Bio1_001280
Bio2_000379
Bio2_000859
BiomolKI2_000054
BiomolKI_000048
BSPBio_001078
CBiol_002016
CYC 202
CYC-202
CYC202
CYC202, Seliciclib, R-roscovitine, Roscovitine
HSCI1_000092
IDI1_002134
InSolution™ Roscovitine
K00020
KBio2_000418
KBio2_002986
KBio2_005554
KBio3_000795
KBio3_000796
KBioGR_000418
KBioSS_000418
Lopac0_001102
LS-182554
NCGC00094374-01
NCGC00094374-02
NCGC00094374-03
NCGC00094374-04
NCI60_036420
NSC 701554
NSC-701554
NSC701554
R-Roscovitine
R7772_SIGMA
Rosco
Roscovitine
RRC
Seliciclib
SMP1_000266
ZINC01649340

Target

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Uniprot ID:MK03_HUMAN
Synonyms:
ERK-1
ERT2
Extracellular signal-regulated kinase 1
Insulin-stimulated MAP2 kinase
MAP kinase 1
MAPK 1
Microtubule-associated protein 2 kinase
Mitogen-activated protein kinase 3
p44-ERK1
p44-MAPK
EC-Numbers:2.7.11.24
Organism:Homo sapiens
Human
PDB IDs:2ZOQ
Structure:
2ZOQ

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----
->10000--
--34000-

References:

9030781
Biochemical and cellular effects of roscovitine, a potent and selective inhibitor of the cyclin-dependent kinases cdc2, cdk2 and cdk5.. L Meijer; A Borgne; O Mulner; J P Chong; J J Blow; N Inagaki; M Inagaki; J G Delcros; J P Moulinoux (1997) European journal of biochemistry / FEBS display abstract
Cyclin-dependent kinases (cdk) play an essential role in the intracellular control of the cell division cycle (cdc). These kinases and their regulators are frequently deregulated in human tumours. Enzymatic screening has recently led to the discovery of specific inhibitors of cyclin-dependent kinases, such as butyrolactone I, flavopiridol and the purine olomoucine. Among a series of C2, N6, N9-substituted adenines tested on purified cdc2/cyclin B, 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine (roscovitine) displays high efficiency and high selectivity towards some cyclin-dependent kinases. The kinase specificity of roscovitine was investigated with 25 highly purified kinases (including protein kinase A, G and C isoforms, myosin light-chain kinase, casein kinase 2, insulin receptor tyrosine kinase, c-src, v-abl). Most kinases are not significantly inhibited by roscovitine. cdc2/cyclin B, cdk2/cyclin A, cdk2/cyclin E and cdk5/p35 only are substantially inhibited (IC50 values of 0.65, 0.7, 0.7 and 0.2 microM, respectively). cdk4/cyclin D1 and cdk6/cyclin D2 are very poorly inhibited by roscovitine (IC50 > 100 microM). Extracellular regulated kinases erk1 and erk2 are inhibited with an IC50 of 34 microM and 14 microM, respectively. Roscovitine reversibly arrests starfish oocytes and sea urchin embryos in late prophase. Roscovitine inhibits in vitro M-phase-promoting factor activity and in vitro DNA synthesis in Xenopus egg extracts. It blocks progesterone-induced oocyte maturation of Xenopus oocytes and in vivo phosphorylation of the elongation factor eEF-1. Roscovitine inhibits the proliferation of mammalian cell lines with an average IC50 of 16 microM. In the presence of roscovitine L1210 cells arrest in G1 and accumulate in G2. In vivo phosphorylation of vimentin on Ser55 by cdc2/cyclin B is inhibited by roscovitine. Through its unique selectivity for some cyclin-dependent kinases, roscovitine provides a useful antimitotic reagent for cell cycle studies and may prove interesting to control cells with deregulated cdc2, cdk2 or cdk5 kinase activities.