Reaction Details Report a problem with these data
Target
Protein-tyrosine kinase 2-beta
Ligand
BDBM50246330
Substrate
n/a
Meas. Tech.
ChEMBL_558214 (CHEMBL960612)
IC50
6±n/a nM
Citation
 Walker, DP; Bi, FC; Kalgutkar, AS; Bauman, JN; Zhao, SX; Soglia, JR; Aspnes, GE; Kung, DW; Klug-McLeod, J; Zawistoski, MP; McGlynn, MA; Oliver, R; Dunn, M; Li, JC; Richter, DT; Cooper, BA; Kath, JC; Hulford, CA; Autry, CL; Luzzio, MJ; Ung, EJ; Roberts, WG; Bonnette, PC; Buckbinder, L; Mistry, A; Griffor, MC; Han, S; Guzman-Perez, A Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation. Bioorg Med Chem Lett 18:6071-7 (2008) [PubMed]  Article 
Target
Name:
Protein-tyrosine kinase 2-beta
Synonyms:
FAK2 | FAK2_HUMAN | PTK2B | PTK2B protein tyrosine kinase 2 beta | PTK2B protein tyrosine kinase 2 beta (PTK2B) | PYK2 | Protein tyrosine kinase 2 beta | RAFTK
Type:
Protein
Mol. Mass.:
115868.80
Organism:
Homo sapiens (Human)
Description:
Q14289
Residue:
1009
Sequence:
MSGVSEPLSRVKLGTLRRPEGPAEPMVVVPVDVEKEDVRILKVCFYSNSFNPGKNFKLVKCTVQTEIREIITSILLSGRIGPNIRLAECYGLRLKHMKSDEIHWLHPQMTVGEVQDKYECLHVEAEWRYDLQIRYLPEDFMESLKEDRTTLLYFYQQLRNDYMQRYASKVSEGMALQLGCLELRRFFKDMPHNALDKKSNFELLEKEVGLDLFFPKQMQENLKPKQFRKMIQQTFQQYASLREEECVMKFFNTLAGFANIDQETYRCELIQGWNITVDLVIGPKGIRQLTSQDAKPTCLAEFKQIRSIRCLPLEEGQAVLQLGIEGAPQALSIKTSSLAEAENMADLIDGYCRLQGEHQGSLIIHPRKDGEKRNSLPQIPMLNLEARRSHLSESCSIESDIYAEIPDETLRRPGGPQYGIAREDVVLNRILGEGFFGEVYEGVYTNHKGEKINVAVKTCKKDCTLDNKEKFMSEAVIMKNLDHPHIVKLIGIIEEEPTWIIMELYPYGELGHYLERNKNSLKVLTLVLYSLQICKAMAYLESINCVHRDIAVRNILVASPECVKLGDFGLSRYIEDEDYYKASVTRLPIKWMSPESINFRRFTTASDVWMFAVCMWEILSFGKQPFFWLENKDVIGVLEKGDRLPKPDLCPPVLYTLMTRCWDYDPSDRPRFTELVCSLSDVYQMEKDIAMEQERNARYRTPKILEPTAFQEPPPKPSRPKYRPPPQTNLLAPKLQFQVPEGLCASSPTLTSPMEYPSPVNSLHTPPLHRHNVFKRHSMREEDFIQPSSREEAQQLWEAEKVKMRQILDKQQKQMVEDYQWLRQEEKSLDPMVYMNDKSPLTPEKEVGYLEFTGPPQKPPRLGAQSIQPTANLDRTDDLVYLNVMELVRAVLELKNELCQLPPEGYVVVVKNVGLTLRKLIGSVDDLLPSLPSSSRTEIEGTQKLLNKDLAELINKMRLAQQNAVTSLSEECKRQMLTASHTLAVDAKNLLDAVDQAKVLANLAHPPAE
  
Inhibitor
Name:
BDBM50246330
Synonyms:
1-{6-[4-((1R,2R)-2-Dimethylamino-cyclopentylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-1,2,3,4-tetrahydro-1,4-epiazano-naphthalen-9-yl}-ethanone | CHEMBL455680
Type:
Small organic molecule
Emp. Form.:
C24H29F3N6O
Mol. Mass.:
474.5219
SMILES:
CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3C4CCC(N4C(C)=O)c3c2)ncc1C(F)(F)F |r,TLB:26:25:19.18:21,THB:15:16:19.18:21,22:21:19.18:16.25|
Structure:
Search PDB for entries with ligand similarity: