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Target
AP2-associated protein kinase 1
Ligand
BDBM50021656
Substrate
n/a
Meas. Tech.
ChEMBL_2244961 (CHEMBL5159171)
Kd
8.2±n/a nM
Citation
 Hartz, RA; Ahuja, VT; Nara, SJ; Kumar, CMV; Manepalli, RKVLP; Sarvasiddhi, SK; Honkhambe, S; Patankar, V; Dasgupta, B; Rajamani, R; Muckelbauer, JK; Camac, DM; Ghosh, K; Pokross, M; Kiefer, SE; Brown, JM; Hunihan, L; Gulianello, M; Lewis, M; Lippy, JS; Surti, N; Hamman, BD; Allen, J; Kostich, WA; Bronson, JJ; Macor, JE; Dzierba, CD Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J Med Chem 65:4121-4155 (2022) [PubMed] 
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:
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