Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 12
Ligand
BDBM50590464
Substrate
n/a
Meas. Tech.
ChEMBL_2196804 (CHEMBL5109320)
IC50
44±n/a nM
Citation
 Lei, P; Zhang, J; Liao, P; Ren, C; Wang, J; Wang, Y Current progress and novel strategies that target CDK12 for drug discovery. Eur J Med Chem 240:0 (2022) [PubMed] 
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:
BDBM50590464
Synonyms:
CHEMBL5179701
Type:
Small organic molecule
Emp. Form.:
C32H32N6O2
Mol. Mass.:
532.6355
SMILES:
Cn1ccc(cc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.68,-6.39,;9.34,-5.62,;9.34,-4.08,;8.01,-3.31,;6.68,-4.08,;6.68,-5.62,;8.01,-6.39,;8.01,-7.93,;5.34,-3.31,;5.34,-1.77,;4.01,-1,;2.68,-1.77,;2.68,-3.31,;4.02,-4.08,;1.35,-1,;.01,-1.77,;.01,-3.31,;-1.32,-4.08,;-2.65,-3.31,;-2.65,-1.77,;-1.32,-1,;-3.99,-4.08,;-5.32,-3.31,;-5.32,-1.76,;-6.66,-1,;-7.99,-1.77,;-7.99,-3.31,;-6.66,-4.08,;-9.32,-1,;-10.65,-.23,;1.35,.54,;.01,1.31,;2.68,1.31,;2.68,2.85,;4.01,3.62,;4.01,5.16,;5.35,5.93,;6.68,5.16,;6.68,3.63,;5.35,2.85,)|
Structure:
Search PDB for entries with ligand similarity: