Reaction Details
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Tyrosine-protein kinase ABL1
Ligand
BDBM50339609
Substrate
n/a
Meas. Tech.
ChEMBL_734981 (CHEMBL1693588)
IC50
1.2±n/a nM
Citation
Gould, AE; Adams, R; Adhikari, S; Aertgeerts, K; Afroze, R; Blackburn, C; Calderwood, EF; Chau, R; Chouitar, J; Duffey, MO; England, DB; Farrer, C; Forsyth, N; Garcia, K; Gaulin, J; Greenspan, PD; Guo, R; Harrison, SJ; Huang, SC; Iartchouk, N; Janowick, D; Kim, MS; Kulkarni, B; Langston, SP; Liu, JX; Ma, LT; Menon, S; Mizutani, H; Paske, E; Renou, CC; Rezaei, M; Rowland, RS; Sintchak, MD; Smith, MD; Stroud, SG; Tregay, M; Tian, Y; Veiby, OP; Vos, TJ; Vyskocil, S; Williams, J; Xu, T; Yang, JJ; Yano, J; Zeng, H; Zhang, DM; Zhang, Q; Galvin, KM Design and optimization of potent and orally bioavailable tetrahydronaphthalene Raf inhibitors. J Med Chem 54:1836-46 (2011) [PubMed] Article More Info.:
Target
Name:
Tyrosine-protein kinase ABL1
Synonyms:
ABL | ABL1 | ABL1_HUMAN | Abelson murine leukemia viral oncogene homolog 1 | JTK7 | Proto-oncogene c-Abl | Proto-oncogene tyrosine-protein kinase ABL1 | Tyrosine-protein kinase (ABL) | Tyrosine-protein kinase ABL | Tyrosine-protein kinase ABL1 (ABL) | V-abl Abelson murine leukemia viral oncogene homolog 1 | c-ABL | p150 | tyrosine-protein kinase ABL1 isoform a
Type:
Enzyme
Mol. Mass.:
122897.30
Organism:
Homo sapiens (Human)
Description:
P00519
Residue:
1130
Sequence:
MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGVRGAVSTLLQAPELPTKTRTSRRAAEHRDTTDVPEMPHSKGQGESDPLDHEPAVSPLLPRKERGPPEGGLNEDERLLPKDKKTNLFSALIKKKKKTAPTPPKRSSSFREMDGQPERRGAGEEEGRDISNGALAFTPLDTADPAKSPKPSNGAGVPNGALRESGGSGFRSPHLWKKSSTLTSSRLATGEEEGGGSSSKRFLRSCSASCVPHGAKDTEWRSVTLPRDLQSTGRQFDSSTFGGHKSEKPALPRKRAGENRSDQVTRGTVTPPPRLVKKNEEAADEVFKDIMESSPGSSPPNLTPKPLRRQVTVAPASGLPHKEEAGKGSALGTPAAAEPVTPTSKAGSGAPGGTSKGPAEESRVRRHKHSSESPGRDKGKLSRLKPAPPPPPAASAGKAGGKPSQSPSQEAAGEAVLGAKTKATSLVDAVNSDAAKPSQPGEGLKKPVLPATPKPQSAKPSGTPISPAPVPSTLPSASSALAGDQPSSTAFIPLISTRVSLRKTRQPPERIASGAITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNKFAFREAINKLENNLRELQICPATAGSGPAATQDFSKLLSSVKEISDIVQR
Inhibitor
Name:
BDBM50339609
Synonyms:
3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl}-5-(trifluoromethyl)benzamide | CHEMBL1688860
Type:
Small organic molecule
Emp. Form.:
C29H29F3N4O3
Mol. Mass.:
538.5608
SMILES:
CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
Structure:
