Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 13/Cyclin-K
Ligand
BDBM50594507
Substrate
n/a
Meas. Tech.
ChEMBL_2213166 (CHEMBL5126115)
Kd
17±n/a nM
Citation
 Yang, J; Chang, Y; Tien, JC; Wang, Z; Zhou, Y; Zhang, P; Huang, W; Vo, J; Apel, IJ; Wang, C; Zeng, VZ; Cheng, Y; Li, S; Wang, GX; Chinnaiyan, AM; Ding, K Discovery of a Highly Potent and Selective Dual PROTAC Degrader of CDK12 and CDK13. J Med Chem 65:11066-11083 (2022) [PubMed] 
Target
Name:
Cyclin-dependent kinase 13/Cyclin-K
Synonyms:
Cyclin-K/Cyclin-dependent kinase 13
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2192353
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-dependent kinase 13
Synonyms:
CDC2-related protein kinase 5 | CDC2L | CDC2L5 | CDK13 | CDK13_HUMAN | CHED | Cell division cycle 2-like protein kinase 5 | Cell division protein kinase 13 | Cholinesterase-related cell division controller | KIAA1791 | hCDK13
Type:
PROTEIN
Mol. Mass.:
165002.38
Organism:
Homo sapiens (Human)
Description:
ChEMBL_774241
Residue:
1512
Sequence:
MPSSSDTALGGGGGLSWAEKKLEERRKRRRFLSPQQPPLLLPLLQPQLLQPPPPPPPLLFLAAPGTAAAAAAAAAASSSCFSPGPPLEVKRLARGKRRAGGRQKRRRGPRAGQEAEKRRVFSLPQPQQDGGGGASSGGGVTPLVEYEDVSSQSEQGLLLGGASAATAATAAGGTGGSGGSPASSSGTQRRGEGSERRPRRDRRSSSGRSKERHREHRRRDGQRGGSEASKSRSRHSHSGEERAEVAKSGSSSSSGGRRKSASATSSSSSSRKDRDSKAHRSRTKSSKEPPSAYKEPPKAYREDKTEPKAYRRRRSLSPLGGRDDSPVSHRASQSLRSRKSPSPAGGGSSPYSRRLPRSPSPYSRRRSPSYSRHSSYERGGDVSPSPYSSSSWRRSRSPYSPVLRRSGKSRSRSPYSSRHSRSRSRHRLSRSRSRHSSISPSTLTLKSSLAAELNKNKKARAAEAARAAEAAKAAEATKAAEAAAKAAKASNTSTPTKGNTETSASASQTNHVKDVKKIKIEHAPSPSSGGTLKNDKAKTKPPLQVTKVENNLIVDKATKKAVIVGKESKSAATKEESVSLKEKTKPLTPSIGAKEKEQHVALVTSTLPPLPLPPMLPEDKEADSLRGNISVKAVKKEVEKKLRCLLADLPLPPELPGGDDLSKSPEEKKTATQLHSKRRPKICGPRYGETKEKDIDWGKRCVDKFDIIGIIGEGTYGQVYKARDKDTGEMVALKKVRLDNEKEGFPITAIREIKILRQLTHQSIINMKEIVTDKEDALDFKKDKGAFYLVFEYMDHDLMGLLESGLVHFNENHIKSFMRQLMEGLDYCHKKNFLHRDIKCSNILLNNRGQIKLADFGLARLYSSEESRPYTNKVITLWYRPPELLLGEERYTPAIDVWSCGCILGELFTKKPIFQANQELAQLELISRICGSPCPAVWPDVIKLPYFNTMKPKKQYRRKLREEFVFIPAAALDLFDYMLALDPSKRCTAEQALQCEFLRDVEPSKMPPPDLPLWQDCHELWSKKRRRQKQMGMTDDVSTIKAPRKDLSLGLDDSRTNTPQGVLPSSQLKSQGSSNVAPVKTGPGQHLNHSELAILLNLLQSKTSVNMADFVQVLNIKVNSETQQQLNKINLPAGILATGEKQTDPSTPQQESSKPLGGIQPSSQTIQPKVETDAAQAAVQSAFAVLLTQLIKAQQSKQKDVLLEERENGSGHEASLQLRPPPEPSTPVSGQDDLIQHQDMRILELTPEPDRPRILPPDQRPPEPPEPPPVTEEDLDYRTENQHVPTTSSSLTDPHAGVKAALLQLLAQHQPQDDPKREGGIDYQAGDTYVSTSDYKDNFGSSSFSSAPYVSNDGLGSSSAPPLERRSFIGNSDIQSLDNYSTASSHSGGPPQPSAFSESFPSSVAGYGDIYLNAGPMLFSGDKDHRFEYSHGPIAVLANSSDPSTGPESTHPLPAKMHNYNYGGNLQENPSGPSLMHGQTWTSPAQGPGYSQGYRGHISTSTGRGRGRGLPY
  
Component 2
Name:
Cyclin-K
Synonyms:
CCNK | CCNK_HUMAN | CPR4
Type:
PROTEIN
Mol. Mass.:
64254.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107901
Residue:
580
Sequence:
MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQPKKPSPQPSSPRQVKRAVVVSPKEENKAAEPPPPKIPKIETTHPPLPPAHPPPDRKPPLAAALGEAEPPGPVDATDLPKVQIPPPAHPAPVHQPPPLPHRPPPPPPSSYMTGMSTTSSYMSGEGYQSLQSMMKTEGPSYGALPPAYGPPAHLPYHPHVYPPNPPPPPVPPPPASFPPPAIPPPTPGYPPPPPTYNPNFPPPPPRLPPTHAVPPHPPPGLGLPPASYPPPAVPPGGQPPVPPPIPPPGMPPVGGLGRAAWMR
  
Inhibitor
Name:
BDBM50594507
Synonyms:
CHEMBL5203891
Type:
Small organic molecule
Emp. Form.:
C30H35N7O
Mol. Mass.:
509.6452
SMILES:
O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)N1CCNCC1 |r,wU:11.11,wD:14.18,(.41,3.92,;-.66,3.3,;-1.99,4.08,;-1.99,5.62,;-3.32,6.39,;-3.32,7.93,;-4.65,8.7,;-5.99,7.93,;-5.99,6.39,;-4.65,5.62,;-.66,1.76,;-2,1,;-2,-.54,;-3.33,-1.31,;-4.67,-.53,;-4.67,1,;-3.33,1.77,;-6,-1.3,;-6,-2.84,;-4.68,-3.62,;-4.68,-5.16,;-6,-5.92,;-7.34,-5.16,;-7.34,-3.61,;-6,-7.46,;-6,-8.7,;.67,.99,;.67,-.55,;2.01,-1.31,;3.34,-.55,;3.34,.99,;2.01,1.77,;4.67,-1.32,;4.67,-2.85,;6.01,-3.63,;7.34,-2.85,;7.34,-1.32,;6,-.55,)|
Structure:
Search PDB for entries with ligand similarity: