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Target
Tyrosine-protein kinase ABL1
Ligand
BDBM50303222
Substrate
n/a
Meas. Tech.
ChEMBL_595121 (CHEMBL1050608)
IC50
1.4±n/a nM
Citation
 Antczak, C; Veach, DR; Ramirez, CN; Minchenko, MA; Shum, D; Calder, PA; Frattini, MG; Clarkson, B; Djaballah, H Structure-activity relationships of 6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)pyrido[2,3-d]pyrimidin-7-ones: toward selective Abl inhibitors. Bioorg Med Chem Lett 19:6872-6 (2009) [PubMed]  Article 
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:
BDBM50303222
Synonyms:
6-(2,6-dichlorophenyl)-8-methyl-2-(4-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenylamino)pyrido[2,3-d]pyrimidin-7(8H)-one | CHEMBL585666
Type:
Small organic molecule
Emp. Form.:
C26H24Cl2N4O7
Mol. Mass.:
575.397
SMILES:
Cn1c2nc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(23.87,-44.74,;23.87,-43.2,;22.54,-42.43,;21.22,-43.2,;19.89,-42.43,;18.55,-43.21,;17.22,-42.44,;15.88,-43.21,;14.55,-42.44,;14.55,-40.9,;13.22,-40.13,;13.22,-38.59,;14.55,-37.82,;14.56,-36.29,;15.89,-35.52,;15.9,-33.98,;13.23,-35.51,;13.23,-33.97,;11.89,-36.28,;10.56,-35.5,;11.88,-37.82,;10.55,-38.59,;15.88,-40.12,;17.21,-40.89,;19.87,-40.9,;21.2,-40.12,;22.55,-40.89,;23.87,-40.12,;25.2,-40.88,;26.52,-40.11,;26.52,-38.58,;25.18,-37.82,;27.84,-37.8,;29.19,-38.56,;29.19,-40.11,;27.86,-40.88,;27.87,-42.42,;25.21,-42.43,;26.54,-43.2,)|
Structure:
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