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Target
Tyrosine-protein kinase ABL1
Ligand
BDBM364417
Substrate
n/a
Meas. Tech.
In Vitro Activity Assay
IC50
623±n/a nM
Citation
 Gray, NS; Tan, L Hydrophobically tagged janus kinase inhibitors and uses thereof US Patent  US9862688 Publication Date 1/9/2018 
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:
BDBM364417
Synonyms:
US9862688, Compound 4
Type:
Small organic molecule
Emp. Form.:
C40H51ClN8O2
Mol. Mass.:
711.338
SMILES:
Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:25.36,29.35,31.31,27.28,THB:30:29:26:24.31.32,28:29:24:27.26.32,(-8.67,-1.15,;-7.34,-.38,;-6,-1.15,;-4.67,-.38,;-4.67,1.15,;-3.33,1.93,;-2,1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;2,-1.15,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.7,;8.67,-3.47,;10,-2.7,;11.34,-3.47,;12.67,-2.7,;12.67,-1.16,;14,-3.47,;15.34,-2.7,;16.67,-3.47,;18,-4.23,;19.34,-3.47,;19.34,-1.93,;18,-1.16,;16.67,-.39,;15.34,-1.16,;17.56,-1.83,;18,-2.7,;4.67,-1.15,;3.33,-.38,;-6,1.93,;-7.34,1.15,;-8.67,1.93,;-10,1.15,;-11.34,1.93,;-11.34,3.47,;-12.67,4.23,;-14,3.47,;-14,1.93,;-15.34,1.15,;-16.67,1.93,;-16.67,3.47,;-18,1.15,;-19.34,1.93,;-12.67,1.15,)|
Structure:
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