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Target
AP2-associated protein kinase 1
Ligand
BDBM50021656
Substrate
n/a
Meas. Tech.
ChEMBL_2119980 (CHEMBL4829127)
Kd
8.2±n/a nM
Citation
 Hartz, RA; Ahuja, VT; Nara, SJ; Kumar, CMV; Brown, JM; Bristow, LJ; Rajamani, R; Muckelbauer, JK; Camac, D; Kiefer, SE; Hunihan, L; Gulianello, M; Lewis, M; Easton, A; Lippy, JS; Surti, N; Pattipati, SN; Dokania, M; Elavazhagan, S; Dandapani, K; Hamman, BD; Allen, J; Kostich, W; Bronson, JJ; Macor, JE; Dzierba, CD Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J Med Chem 64:11090-11128 (2021) [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:
BDBM50021656
Synonyms:
BARICITINIB | INCB-028050 | LY-3009104 | US10112907, Example 00034 | US10766894, Compound TABLE 1.19 | US10875847, Compound Baricitinib | US11203595, TABLE 1.19 | US11414413, Example Baricitinib | US20230416237, Example baricitinib
Type:
Small organic molecule
Emp. Form.:
C16H17N7O2S
Mol. Mass.:
371.417
SMILES:
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Structure:
Search PDB for entries with ligand similarity: