Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 12
Ligand
BDBM478666
Substrate
n/a
Meas. Tech.
Biochemical Assay for CDK12 (IC50 Determination)
IC50
1019±n/a nM
Citation
 Poddutoori, R; Samajdar, S; Mukherjee, S Substituted pyrazole derivatives as selective CDK12/13 inhibitors US Patent  US10894786 Publication Date 1/19/2021 
Target
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:
MPNSERHGGKKDGSGGASGTLQPSSGGGSSNSRERHRLVSKHKRHKSKHSKDMGLVTPEAASLGTVIKPLVEYDDISSDSDTFSDDMAFKLDRRENDERRGSDRSDRLHKHRHHQHRRSRDLLKAKQTEKEKSQEVSSKSGSMKDRISGSSKRSNEETDDYGKAQVAKSSSKESRSSKLHKEKTRKERELKSGHKDRSKSHRKRETPKSYKTVDSPKRRSRSPHRKWSDSSKQDDSPSGASYGQDYDLSPSRSHTSSNYDSYKKSPGSTSRRQSVSPPYKEPSAYQSSTRSPSPYSRRQRSVSPYSRRRSSSYERSGSYSGRSPSPYGRRRSSSPFLSKRSLSRSPLPSRKSMKSRSRSPAYSRHSSSHSKKKRSSSRSRHSSISPVRLPLNSSLGAELSRKKKERAAAAAAAKMDGKESKGSPVFLPRKENSSVEAKDSGLESKKLPRSVKLEKSAPDTELVNVTHLNTEVKNSSDTGKVKLDENSEKHLVKDLKAQGTRDSKPIALKEEIVTPKETETSEKETPPPLPTIASPPPPLPTTTPPPQTPPLPPLPPIPALPQQPPLPPSQPAFSQVPASSTSTLPPSTHSKTSAVSSQANSQPPVQVSVKTQVSVTAAIPHLKTSTLPPLPLPPLLPGDDDMDSPKETLPSKPVKKEKEQRTRHLLTDLPLPPELPGGDLSPPDSPEPKAITPPQQPYKKRPKICCPRYGERRQTESDWGKRCVDKFDIIGIIGEGTYGQVYKAKDKDTGELVALKKVRLDNEKEGFPITAIREIKILRQLIHRSVVNMKEIVTDKQDALDFKKDKGAFYLVFEYMDHDLMGLLESGLVHFSEDHIKSFMKQLMEGLEYCHKKNFLHRDIKCSNILLNNSGQIKLADFGLARLYNSEESRPYTNKVITLWYRPPELLLGEERYTPAIDVWSCGCILGELFTKKPIFQANLELAQLELISRLCGSPCPAVWPDVIKLPYFNTMKPKKQYRRRLREEFSFIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFLKDVELSKMAPPDLPHWQDCHELWSKKRRRQRQSGVVVEEPPPSKTSRKETTSGTSTEPVKNSSPAPPQPAPGKVESGAGDAIGLADITQQLNQSELAVLLNLLQSQTDLSIPQMAQLLNIHSNPEMQQQLEALNQSISALTEATSQQQDSETMAPEESLKEAPSAPVILPSAEQTTLEASSTPADMQNILAVLLSQLMKTQEPAGSLEENNSDKNSGPQGPRRTPTMPQEEAAACPPHILPPEKRPPEPPGPPPPPPPPPLVEGDLSSAPQELNPAVTAALLQLLSQPEAEPPGHLPHEHQALRPMEYSTRPRPNRTYGNTDGPETGFSAIDTDERNSGPALTESLVQTLVKNRTFSGSLSHLGESSSYQGTGSVQFPGDQDLRFARVPLALHPVVGQPFLKAEGSSNSVVHAETKLQNYGELGPGTTGASSSGAGLHWGGPTQSSAYGKLYRGPTRVPPRGGRGRGVPY
  
Inhibitor
Name:
BDBM478666
Synonyms:
N-(4-(4-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-1-oxopropan-2- yl)phenyl)cyclohexyl)acrylamide | US10894786, Comp. No 11
Type:
Small organic molecule
Emp. Form.:
C24H30N4O2
Mol. Mass.:
406.5206
SMILES:
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)C1CCC(CC1)NC(=O)C=C |r,wD:1.0,(-3.35,4.85,;-2.02,4.08,;-.69,4.85,;.65,4.08,;-.69,6.39,;.65,7.16,;2.05,6.53,;3.08,7.68,;2.31,9.01,;.81,8.69,;4.62,7.52,;5.86,6.61,;6.02,8.14,;-2.02,2.54,;-.69,1.77,;-.69,.23,;-2.02,-.54,;-3.35,.23,;-3.35,1.77,;-2.02,-2.08,;-3.35,-2.85,;-3.35,-4.39,;-2.02,-5.16,;-.69,-4.39,;-.69,-2.85,;-2.02,-6.7,;-3.35,-7.47,;-3.35,-9.01,;-4.69,-6.7,;-6.02,-7.47,)|
Structure:
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