Ki Summary

Reaction Details

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Target

CDK2/CycE

Ligand

BDBM12611

Substrate/Competitor

GST-Rb fusion protein

Meas. Tech.

Homogeneous Time-resolved Fluorescence (HTRF) Assay

7±n/a

Temperature

310.15±n/a K

24±n/a nM

Citation

Chu, XJ; DePinto, W; Bartkovitz, D; So, SS; Vu, BT; Packman, K; Lukacs, C; Ding, Q; Jiang, N; Wang, K; Goelzer, P; Yin, X; Smith, MA; Higgins, BX; Chen, Y; Xiang, Q; Moliterni, J; Kaplan, G; Graves, B; Lovey, A; Fotouhi, N Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity. J Med Chem49:6549-60 (2006) [PubMed] Article

More Info.:

Get all data from this article, Solution Info, Assay Method

CDK2/CycE

Name:

CDK2/CycE

Synonyms:

CDK2/Cyclin E | CDK2/E | Cyclin-Dependent Kinase 2 (CDK2) | Cyclin-dependent kinase 2/G1/S-specific cyclin E1 | Cyclin-dependent kinase 2/cyclin E1

Type:

Protein

Mol. Mass.:

n/a

Description:

n/a

Components:

This complex has 2 components.

Component 1

Name:

Cyclin-dependent kinase 2

Synonyms:

CDK2 | CDK2-Kinase | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | p33 protein kinase

Type:

Enzyme Subunit

Mol. Mass.:

33938.17

Organism:

Homo sapiens (Human)

Description:

P24941

Residue:

298

Sequence:

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

Component 2

Name:

G1/S-specific cyclin-E1

Synonyms:

CCNE | CCNE1

Type:

Enzyme Subunit

Mol. Mass.:

47073.17

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

410

Sequence:

MPRERRERDAKERDTMKEDGGAEFSARSRKRKANVTVFLQDPDEEMAKIDRTARDQCGSQ
PWDNNAVCADPCSLIPTPDKEDDDRVYPNSTCKPRIIAPSRGSPLPVLSWANREEVWKIM
LNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQ
ENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWR
LSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILA
ASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNI
QTHRDSLDLLDKARAKKAMLSEQNRASPLPSGLLTPPQSGKKQSSGPEMA

BDBM12611

Name

BDBM12611

Synonyms:

2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesulfonylpiperidin-4-yl)-5-[(2-methoxyphenyl)carbonyl]pyrimidine-2,4-diamine | [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone

Type

Small organic molecule

Emp. Form.

C18H23N5O4S

Mol. Mass.

405.471

SMILES

COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

Structure

GST-Rb fusion protein

Name:

GST-Rb fusion protein

Synonyms:

Glutathione S-transferase (GST)-retinoblastoma (Rb) fusion | Histidine-tagged retinoblastoma protein | Rb | retinoblastoma

Type:

Other Protein Type

Mol. Mass.:

106410.17

Organism:

Homo sapiens (Human)

Description:

GST-60 kDa Rb fusion protein (comprising amino acids 378 to 928 of retinoblastoma)

Residue:

928

Sequence:

MPPKTPRKTAATAAAAAAEPPAPPPPPPPEEDPEQDSGPEDLPLVRLEFEETEEPDFTAL
CQKLKIPDHVRERAWLTWEKVSSVDGVLGGYIQKKKELWGICIFIARVDLDEMSFTLLSY
RKTYEISVHKFFNLLKEIDTSTKVDNAMSRLLKKYDVLFALFSKLERTCELIYLTQPSSS
ISTEINSALVLKVSWITFLLAKGEVLQMEDDLVISFQLMLCVLDYFIKLSPPMLLKEPYK
TAVIPINGSPRTPRRGQNRSARIAKQLENDTRIIEVLCKEHECNIDEVKNVYFKNFIPFM
NSLGLVTSNGLPEVENLSKRYEEIYLKNKDLDRRLFLDHDKTLQTDSIDSFETQRTPRKS
NLDEEVNIIPPHTPVRTVMNTIQQLMMILNSASDQPSENLISYFNNCTVNPKESILKRVK
DIGYIFKEKFAKAVGQGCVEIGSQRYKLGVRLYYRVMESMLKSEEERLSIQNFSKLLNDN
IFHMSLLACALEVVMATYSRSTSQNLDSGTDLSFPWILNVLNLKAFDFYKVIESFIKAEG
NLTREMIKHLERCEHRIMESLAWLSDSPLFDLIKQSKDREGPTDHLESACPLNLPLQNNH
TAADMYLSPVRSPKKKGSTTRVNSTANAETQATSAFQTQKPLKSTSLSLFYKKVYRLAYL
RLNTLCERLLSEHPELEHIIWTLFQHTLQNEYELMRDRHLDQIMMCSMYGICKVKNIDLK
FKIIVTAYKDLPHAVQETFKRVLIKEEEYDSIIVFYNSVFMQRLKTNILQYASTRPPTLS
PIPHIPRSPYKFPSSPLRIPGGNIYISPLKSPYKISEGLPTPTKMTPRSRILVSIGESFG
TSEKFQKINQMVCNSDRVLKRSAEGSNPPKPLKKLRFDIEGSDEADGSKHLPGESKFQQK
LAEMTSTRTRMQKQKMNDSMDTSNKEEK