| Reaction Details |
|---|
 | Report a problem with these data |
| Target | AP2-associated protein kinase 1 |
|---|
| Ligand | BDBM311159 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2246936 (CHEMBL5161146) |
|---|
| Ki | 0.080000±n/a nM |
|---|
| Citation |  Luo, G; Chen, L; Kostich, WA; Hamman, B; Allen, J; Easton, A; Bourin, C; Gulianello, M; Lippy, J; Nara, S; Pattipati, SN; Dandapani, K; Dokania, M; Vattikundala, P; Sharma, V; Elavazhagan, S; Verma, MK; Lal Das, M; 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; Bristow, L; Albright, CF; Bronson, JJ; Macor, JE; Dzierba, CD Discovery and Optimization of Biaryl Alkyl Ethers as a Novel Class of Highly Selective, CNS-Penetrable, and Orally Active Adaptor Protein-2-Associated Kinase 1 (AAK1) Inhibitors for the Potential Treatment of Neuropathic Pain. J Med Chem65:4534-4564 (2022) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| AP2-associated protein kinase 1 |
|---|
| Name: | AP2-associated protein kinase 1 |
|---|
| Synonyms: | 2.7.11.1 | AAK1_MOUSE | Aak1 | Adaptor-associated kinase 1 | Kiaa1048 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 103346.52 |
|---|
| Organism: | Mus musculus |
|---|
| Description: | ChEMBL_120693 |
|---|
| Residue: | 959 |
|---|
| Sequence: | MKKFFDSRREQGSSGLGSGSSGGGGSSSGLGSGYIGRVFGIGRQQVTVDEVLAEGGFALV
FLVRTSNGVKCALKRMFVNNEHDLQVCKREIQIMRDLSGHKNIVGYIDSSINNVSSGDVW
EVLILMDFCRGGQVVNLMNQRLQTGFTENEVLQIFCDTCEAVARLHQCKTPIIHRDLKVE
NILLHDRGHYVLCDFGSATNKFQNPQAEGVNAVEDEIKKYTTLSYRAPEMVNLYSGKIIT
TKADIWALGCLLYKLCYFTLPFGESQVAICDGSFTIPDNSRYSQDMHCLIRYMLEPDPDK
RPDIYQVSYFSFKLLKKECPVPNVQNSPIPAKLPEPVKASEAAVKKTQPKARLTDPIPTT
ETSIAPRQRPKAGQTQPNPGILPIQPALTPRKRATVQPLPQAAGPSNQPGLLPSVSQPKA
QATPSQPLQSSQPKQPQAPPTPQQTPATQTQGLPTQAQATPQHQQQHLLKQQQQQQQQPQ
QPTAPPQPAGTFYQQQQQQQQQQAQTQQFQAVHPAAQQPVTAQFPVGSQGGAQQQLMQNF
YHQQQQQQQQQQQLMAQQAALQQKTAVVVPQSQAQPATAPQAAAAQEPGQIQAPVRQQPK
VQTTPPPTIQGQKVGSLTPPSSPKTQRAGHRRILSDVTHSAVFGVPASKSTQLLQAAAAE
ASLNKSKSATTTPSGSPRTSQQNVSNASEGSTWNPFDDDNFSKLTAEELLNKDFAKLGEG
KLPEKLGGSAESLIPGFQPTQGDAFTTPSFSAGTAEKRKGGQAVDSGIPLLSVSDPFIPL
QVPDAPEKLIEGLKSPDTSLLLPDLLPMTDPFGSTSDAVIDKADVAVESLIPGLEPPVAQ
RLPSQTESVTSNRTDSLTGEDSLLDCSLLSNPTAGLLEEFAPIALSAPTHKAAEDSNLIS
GFGVAEGSEKVAEDEFDPIPVLITKNTQGGHSRNSSGSSESSLPNLARSLLLVDQLIDL
|
|
|
|---|
| BDBM311159 |
|---|
| n/a |
|---|
| Name | BDBM311159 |
|---|
| Synonyms: | (S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methylphenyl)pyridin-2-yl)acetamide | BDBM405999 | BDBM50243381 | US10155760, Example 7 | US10723734, Example 7 | US9902722, Example 7 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C20H27N3O2 |
|---|
| Mol. Mass. | 341.4473 |
|---|
| SMILES | CC(C)C[C@H](N)COc1ccc(cc1C)-c1ccnc(NC(C)=O)c1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
