Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase ABL1
LigandBDBM50378808
Substrate/Competitorn/a
Meas. Tech.ChEMBL_652025 (CHEMBL1227835)
Ki 70±n/a nM
Citation Kraus, GAGupta, VMokhtarian, MMehanovic, SNilsen-Hamilton, M New effective inhibitors of the Abelson kinase. Bioorg Med Chem18:6316-21 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase ABL1
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:
MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSE
NDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVN
SLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTAS
DGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERT
DITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQ
LLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFI
HRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKS
DVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNP
SDRPSFAEIHQAFETMFQESSISDEVEKELGKQGVRGAVSTLLQAPELPTKTRTSRRAAE
HRDTTDVPEMPHSKGQGESDPLDHEPAVSPLLPRKERGPPEGGLNEDERLLPKDKKTNLF
SALIKKKKKTAPTPPKRSSSFREMDGQPERRGAGEEEGRDISNGALAFTPLDTADPAKSP
KPSNGAGVPNGALRESGGSGFRSPHLWKKSSTLTSSRLATGEEEGGGSSSKRFLRSCSAS
CVPHGAKDTEWRSVTLPRDLQSTGRQFDSSTFGGHKSEKPALPRKRAGENRSDQVTRGTV
TPPPRLVKKNEEAADEVFKDIMESSPGSSPPNLTPKPLRRQVTVAPASGLPHKEEAGKGS
ALGTPAAAEPVTPTSKAGSGAPGGTSKGPAEESRVRRHKHSSESPGRDKGKLSRLKPAPP
PPPAASAGKAGGKPSQSPSQEAAGEAVLGAKTKATSLVDAVNSDAAKPSQPGEGLKKPVL
PATPKPQSAKPSGTPISPAPVPSTLPSASSALAGDQPSSTAFIPLISTRVSLRKTRQPPE
RIASGAITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNK
FAFREAINKLENNLRELQICPATAGSGPAATQDFSKLLSSVKEISDIVQR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50378808
n/a
NameBDBM50378808
Synonyms:CHEMBL1223413
TypeSmall organic molecule
Emp. Form.C22H18Cl2N4OS
Mol. Mass.457.376
SMILESCSc1cccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-11.39,-21.23,;-10.05,-20.46,;-8.72,-21.23,;-8.72,-22.77,;-7.39,-23.54,;-6.05,-22.77,;-6.05,-21.22,;-4.72,-20.45,;-3.39,-21.21,;-2.06,-20.44,;-2.07,-18.91,;-.75,-18.13,;.6,-18.89,;1.93,-18.12,;3.26,-18.9,;4.59,-18.13,;4.59,-16.6,;3.26,-15.83,;5.92,-15.83,;7.26,-16.6,;7.26,-18.14,;5.93,-18.91,;5.92,-20.45,;3.26,-20.44,;4.59,-21.21,;1.93,-21.2,;1.92,-22.74,;.6,-20.44,;-.73,-21.21,;-7.39,-20.46,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: