Reaction Details |
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Target | Cyclin-K/Cyclin-dependent kinase 12 |
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Ligand | BDBM479014 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Assay Condition A |
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IC50 | <100±n/a nM |
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Citation | Kanouni, T; Arnold, LD; Kaldor, SW; Murphy, EA; Tyhonas, J Inhibitors of cyclin-dependent kinases US Patent US11390618 Publication Date 7/19/2022 |
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More Info.: | Get all data from this article, Assay Method |
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Cyclin-K/Cyclin-dependent kinase 12 |
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Name: | Cyclin-K/Cyclin-dependent kinase 12 |
Synonyms: | CDK12/Cyclin K |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1735959 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Cyclin-K |
Synonyms: | CCNK | CCNK_HUMAN | CPR4 |
Type: | PROTEIN |
Mol. Mass.: | 64254.10 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_107901 |
Residue: | 580 |
Sequence: | MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDV
GTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTA
RSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQK
LVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQ
DVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPS
QPQQKDPQQPAQQQQPAQQPKKPSPQPSSPRQVKRAVVVSPKEENKAAEPPPPKIPKIET
THPPLPPAHPPPDRKPPLAAALGEAEPPGPVDATDLPKVQIPPPAHPAPVHQPPPLPHRP
PPPPPSSYMTGMSTTSSYMSGEGYQSLQSMMKTEGPSYGALPPAYGPPAHLPYHPHVYPP
NPPPPPVPPPPASFPPPAIPPPTPGYPPPPPTYNPNFPPPPPRLPPTHAVPPHPPPGLGL
PPASYPPPAVPPGGQPPVPPPIPPPGMPPVGGLGRAAWMR
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Component 2 |
Name: | Cyclin-dependent kinase 12 |
Synonyms: | 2.7.11.22 | 2.7.11.23 | CDC2-related protein kinase 7 | CDK12 | CDK12_HUMAN | CRK7 | CRKRS | Cdc2-related kinase, arginine/serine-rich | Cell division cycle 2-related protein kinase 7 | Cell division protein kinase 12 | Cyclin-dependent kinase 12 | KIAA0904 | hCDK12 |
Type: | PROTEIN |
Mol. Mass.: | 164218.64 |
Organism: | Homo sapiens |
Description: | ChEMBL_117739 |
Residue: | 1490 |
Sequence: | MPNSERHGGKKDGSGGASGTLQPSSGGGSSNSRERHRLVSKHKRHKSKHSKDMGLVTPEA
ASLGTVIKPLVEYDDISSDSDTFSDDMAFKLDRRENDERRGSDRSDRLHKHRHHQHRRSR
DLLKAKQTEKEKSQEVSSKSGSMKDRISGSSKRSNEETDDYGKAQVAKSSSKESRSSKLH
KEKTRKERELKSGHKDRSKSHRKRETPKSYKTVDSPKRRSRSPHRKWSDSSKQDDSPSGA
SYGQDYDLSPSRSHTSSNYDSYKKSPGSTSRRQSVSPPYKEPSAYQSSTRSPSPYSRRQR
SVSPYSRRRSSSYERSGSYSGRSPSPYGRRRSSSPFLSKRSLSRSPLPSRKSMKSRSRSP
AYSRHSSSHSKKKRSSSRSRHSSISPVRLPLNSSLGAELSRKKKERAAAAAAAKMDGKES
KGSPVFLPRKENSSVEAKDSGLESKKLPRSVKLEKSAPDTELVNVTHLNTEVKNSSDTGK
VKLDENSEKHLVKDLKAQGTRDSKPIALKEEIVTPKETETSEKETPPPLPTIASPPPPLP
TTTPPPQTPPLPPLPPIPALPQQPPLPPSQPAFSQVPASSTSTLPPSTHSKTSAVSSQAN
SQPPVQVSVKTQVSVTAAIPHLKTSTLPPLPLPPLLPGDDDMDSPKETLPSKPVKKEKEQ
RTRHLLTDLPLPPELPGGDLSPPDSPEPKAITPPQQPYKKRPKICCPRYGERRQTESDWG
KRCVDKFDIIGIIGEGTYGQVYKAKDKDTGELVALKKVRLDNEKEGFPITAIREIKILRQ
LIHRSVVNMKEIVTDKQDALDFKKDKGAFYLVFEYMDHDLMGLLESGLVHFSEDHIKSFM
KQLMEGLEYCHKKNFLHRDIKCSNILLNNSGQIKLADFGLARLYNSEESRPYTNKVITLW
YRPPELLLGEERYTPAIDVWSCGCILGELFTKKPIFQANLELAQLELISRLCGSPCPAVW
PDVIKLPYFNTMKPKKQYRRRLREEFSFIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFL
KDVELSKMAPPDLPHWQDCHELWSKKRRRQRQSGVVVEEPPPSKTSRKETTSGTSTEPVK
NSSPAPPQPAPGKVESGAGDAIGLADITQQLNQSELAVLLNLLQSQTDLSIPQMAQLLNI
HSNPEMQQQLEALNQSISALTEATSQQQDSETMAPEESLKEAPSAPVILPSAEQTTLEAS
STPADMQNILAVLLSQLMKTQEPAGSLEENNSDKNSGPQGPRRTPTMPQEEAAACPPHIL
PPEKRPPEPPGPPPPPPPPPLVEGDLSSAPQELNPAVTAALLQLLSQPEAEPPGHLPHEH
QALRPMEYSTRPRPNRTYGNTDGPETGFSAIDTDERNSGPALTESLVQTLVKNRTFSGSL
SHLGESSSYQGTGSVQFPGDQDLRFARVPLALHPVVGQPFLKAEGSSNSVVHAETKLQNY
GELGPGTTGASSSGAGLHWGGPTQSSAYGKLYRGPTRVPPRGGRGRGVPY
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BDBM479014 |
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n/a |
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Name | BDBM479014 |
Synonyms: | (R)-N-(4-(3-((5-chloro-4- methoxypyridin-2- yl)amino)pyrrolidine-1- carbonyl)phenyl)acrylamide | US10894788, Example 54 | US11390618, Example 54 |
Type | Small organic molecule |
Emp. Form. | C20H21ClN4O3 |
Mol. Mass. | 400.859 |
SMILES | COc1cc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r| |
Structure |
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