Reaction Details Report a problem with these data
Target
AP2-associated protein kinase 1
Ligand
BDBM311200
Substrate
n/a
Meas. Tech.
ChEMBL_2164736 (CHEMBL5049597)
IC50
2.2±n/a nM
Citation
 Luo, G; Chen, L; Kostich, WA; Hamman, B; Allen, J; Easton, A; Bourin, C; Gulianello, M; Lippy, J; Nara, S; Maishal, TK; Thiyagarajan, K; Jalagam, P; Pattipati, SN; Dandapani, K; Dokania, M; Vattikundala, P; Sharma, V; Elavazhagan, S; Verma, MK; Das, ML; Wagh, S; Balakrishnan, A; Johnson, BM; Santone, KS; Thalody, G; Denton, R; Saminathan, H; Holenarsipur, VK; Kumar, A; Rao, A; Putlur, SP; Sarvasiddhi, SK; Shankar, G; Louis, JV; Ramarao, M; Conway, CM; Li, YW; Pieschl, R; Tian, Y; Hong, Y; Ditta, J; Mathur, A; Li, J; Smith, D; Pawluczyk, J; Sun, D; Yip, S; Wu, DR; Vetrichelvan, M; Gupta, A; Wilson, A; Gopinathan, S; Wason, S; Bristow, L; Albright, CF; Bronson, JJ; Macor, JE; Dzierba, CD Discovery of ( J Med Chem 65:4457-4480 (2022) [PubMed]  Article 
Target
Name:
AP2-associated protein kinase 1
Synonyms:
AAK1 | AAK1_HUMAN | Adaptor-associated kinase 1 | KIAA1048
Type:
PROTEIN
Mol. Mass.:
103884.23
Organism:
Homo sapiens (Human)
Description:
ChEMBL_774569
Residue:
961
Sequence:
MKKFFDSRREQGGSGLGSGSSGGGGSTSGLGSGYIGRVFGIGRQQVTVDEVLAEGGFAIVFLVRTSNGMKCALKRMFVNNEHDLQVCKREIQIMRDLSGHKNIVGYIDSSINNVSSGDVWEVLILMDFCRGGQVVNLMNQRLQTGFTENEVLQIFCDTCEAVARLHQCKTPIIHRDLKVENILLHDRGHYVLCDFGSATNKFQNPQTEGVNAVEDEIKKYTTLSYRAPEMVNLYSGKIITTKADIWALGCLLYKLCYFTLPFGESQVAICDGNFTIPDNSRYSQDMHCLIRYMLEPDPDKRPDIYQVSYFSFKLLKKECPIPNVQNSPIPAKLPEPVKASEAAAKKTQPKARLTDPIPTTETSIAPRQRPKAGQTQPNPGILPIQPALTPRKRATVQPPPQAAGSSNQPGLLASVPQPKPQAPPSQPLPQTQAKQPQAPPTPQQTPSTQAQGLPAQAQATPQHQQQLFLKQQQQQQQPPPAQQQPAGTFYQQQQAQTQQFQAVHPATQKPAIAQFPVVSQGGSQQQLMQNFYQQQQQQQQQQQQQQLATALHQQQLMTQQAALQQKPTMAAGQQPQPQPAAAPQPAPAQEPAIQAPVRQQPKVQTTPPPAVQGQKVGSLTPPSSPKTQRAGHRRILSDVTHSAVFGVPASKSTQLLQAAAAEASLNKSKSATTTPSGSPRTSQQNVYNPSEGSTWNPFDDDNFSKLTAEELLNKDFAKLGEGKHPEKLGGSAESLIPGFQSTQGDAFATTSFSAGTAEKRKGGQTVDSGLPLLSVSDPFIPLQVPDAPEKLIEGLKSPDTSLLLPDLLPMTDPFGSTSDAVIEKADVAVESLIPGLEPPVPQRLPSQTESVTSNRTDSLTGEDSLLDCSLLSNPTTDLLEEFAPTAISAPVHKAAEDSNLISGFDVPEGSDKVAEDEFDPIPVLITKNPQGGHSRNSSGSSESSLPNLARSLLLVDQLIDL
  
Inhibitor
Name:
BDBM311200
Synonyms:
(S)-1-(4-(2-fluoropyridin-4-yl)-2-(trifluoromethyl)phenoxy)-2,4-dimethylpentan-2-amine | US10155760, Example 44 | US10351563, Example 44 | US10544120, Example 44 | US10723734, Example 44 | US10981910, Example 44 | US9902722, Example 44
Type:
Small organic molecule
Emp. Form.:
C19H22F4N2O
Mol. Mass.:
370.3844
SMILES:
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(F)c1 |r|
Structure:
Search PDB for entries with ligand similarity: