Reaction Details |
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Target | Serine/threonine-protein kinase Nek1 |
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Ligand | BDBM50603394 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2243864 (CHEMBL5158074) |
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IC50 | 330±n/a nM |
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Citation | Baumann, G; Meckel, T; Böhm, K; Shih, YH; Dickhaut, M; Reichardt, T; Pilakowski, J; Pehl, U; Schmidt, B Illuminating a Dark Kinase: Structure-Guided Design, Synthesis, and Evaluation of a Potent Nek1 Inhibitor and Its Effects on the Embryonic Zebrafish Pronephros. J Med Chem65:1265-1282 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Serine/threonine-protein kinase Nek1 |
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Name: | Serine/threonine-protein kinase Nek1 |
Synonyms: | KIAA1901 | NEK kinase | NEK1 | NEK1_HUMAN | Never in mitosis A-related kinase 1 | NimA-related protein kinase 1 | Renal carcinoma antigen NY-REN-55 |
Type: | Protein |
Mol. Mass.: | 142810.07 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 1258 |
Sequence: | MEKYVRLQKIGEGSFGKAILVKSTEDGRQYVIKEINISRMSSKEREESRREVAVLANMKH
PNIVQYRESFEENGSLYIVMDYCEGGDLFKRINAQKGVLFQEDQILDWFVQICLALKHVH
DRKILHRDIKSQNIFLTKDGTVQLGDFGIARVLNSTVELARTCIGTPYYLSPEICENKPY
NNKSDIWALGCVLYELCTLKHAFEAGSMKNLVLKIISGSFPPVSLHYSYDLRSLVSQLFK
RNPRDRPSVNSILEKGFIAKRIEKFLSPQLIAEEFCLKTFSKFGSQPIPAKRPASGQNSI
SVMPAQKITKPAAKYGIPLAYKKYGDKKLHEKKPLQKHKQAHQTPEKRVNTGEERRKISE
EAARKRRLEFIEKEKKQKDQIISLMKAEQMKRQEKERLERINRAREQGWRNVLSAGGSGE
VKAPFLGSGGTIAPSSFSSRGQYEHYHAIFDQMQQQRAEDNEAKWKREIYGRGLPERGIL
PGVRPGFPYGAAGHHHFPDADDIRKTLKRLKAVSKQANANRQKGQLAVERAKQVEEFLQR
KREAMQNKARAEGHMVYLARLRQIRLQNFNERQQIKAKLRGEKKEANHSEGQEGSEEADM
RRKKIESLKAHANARAAVLKEQLERKRKEAYEREKKVWEEHLVAKGVKSSDVSPPLGQHE
TGGSPSKQQMRSVISVTSALKEVGVDSSLTDTRETSEEMQKTNNAISSKREILRRLNENL
KAQEDEKGKQNLSDTFEINVHEDAKEHEKEKSVSSDRKKWEAGGQLVIPLDELTLDTSFS
TTERHTVGEVIKLGPNGSPRRAWGKSPTDSVLKILGEAELQLQTELLENTTIRSEISPEG
EKYKPLITGEKKVQCISHEINPSAIVDSPVETKSPEFSEASPQMSLKLEGNLEEPDDLET
EILQEPSGTNKDESLPCTITDVWISEEKETKETQSADRITIQENEVSEDGVSSTVDQLSD
IHIEPGTNDSQHSKCDVDKSVQPEPFFHKVVHSEHLNLVPQVQSVQCSPEESFAFRSHSH
LPPKNKNKNSLLIGLSTGLFDANNPKMLRTCSLPDLSKLFRTLMDVPTVGDVRQDNLEID
EIEDENIKEGPSDSEDIVFEETDTDLQELQASMEQLLREQPGEEYSEEEESVLKNSDVEP
TANGTDVADEDDNPSSESALNEEWHSDNSDGEIASECECDSVFNHLEELRLHLEQEMGFE
KFFEVYEKIKAIHEDEDENIEICSKIVQNILGNEHQHLYAKILHLVMADGAYQEDNDE
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BDBM50603394 |
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n/a |
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Name | BDBM50603394 |
Synonyms: | CHEMBL5201686 |
Type | Small organic molecule |
Emp. Form. | C24H22N4O3S |
Mol. Mass. | 446.521 |
SMILES | OC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 |r| |
Structure |
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