Reaction Details Report a problem with these data
Target
AP2-associated protein kinase 1
Ligand
BDBM321107
Substrate
n/a
Meas. Tech.
ChEMBL_1806412 (CHEMBL4305771)
IC50
0.620000±n/a nM
Citation
 Verdonck, S; Pu, SY; Sorrell, FJ; Elkins, JM; Froeyen, M; Gao, LJ; Prugar, LI; Dorosky, DE; Brannan, JM; Barouch-Bentov, R; Knapp, S; Dye, JM; Herdewijn, P; Einav, S; De Jonghe, S Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity. J Med Chem 62:5810-5831 (2019) [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:
BDBM321107
Synonyms:
(S)-ethyl (8-((2-amino-2,4-dimethylpentyl)oxy)-6H-isochromeno[3,4-c]pyridin-2-yl)carbamate | US10174044, Example 41
Type:
Small organic molecule
Emp. Form.:
C22H29N3O4
Mol. Mass.:
399.4834
SMILES:
CCOC(=O)Nc1cc-2c(OCc3cc(OC[C@@](C)(N)CC(C)C)ccc-23)cn1 |r|
Structure:
Search PDB for entries with ligand similarity: