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Target
BCR/ABL1
Ligand
BDBM50590370
Substrate
n/a
Meas. Tech.
ChEMBL_2196473 (CHEMBL5108989)
IC50
165±n/a nM
Citation
 Pan, YL; Zeng, SX; Hao, RR; Liang, MH; Shen, ZR; Huang, WH The progress of small-molecules and degraders against BCR-ABL for the treatment of CML. Eur J Med Chem 238:0 (2022) [PubMed]  Article
Target
Name:
BCR/ABL1
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2196473
Components:
This complex has 2 components.
Component 1
Name:
Tyrosine-protein kinase ABL1
Synonyms:
ABL1_MOUSE | Abelson murine leukemia viral oncogene homolog 1 | Abelson tyrosine-protein kinase 1 | Abl | Abl1 | Proto-oncogene c-Abl Abl1 | p150
Type:
PROTEIN
Mol. Mass.:
122698.35
Organism:
Mus musculus
Description:
ChEMBL_767349
Residue:
1123
Sequence:
MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTIYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKRGTRGGAGSMLQAPELPTKTRTCRRAAEQKDAPDTPELLHTKGLGESDALDSEPAVSPLLPRKERGPPDGSLNEDERLLPRDRKTNLFSALIKKKKKMAPTPPKRSSSFREMDGQPDRRGASEDDSRELCNGPPALTSDAAEPTKSPKASNGAGVPNGAFREPGNSGFRSPHMWKKSSTLTGSRLAAAEEESGMSSSKRFLRSCSASCMPHGARDTEWRSVTLPRDLPSAGKQFDSSTFGGHKSEKPALPRKRTSESRSEQVAKSTAMPPPRLVKKNEEAAEEGFKDTESSPGSSPPSLTPKLLRRQVTASPSSGLSHKEEATKGSASGMGTPATAEPAPPSNKVGLSKASSEEMRVRRHKHSSESPGRDKGRLAKLKPAPPPPPACTGKAGKPAQSPSQEAGEAGGPTKTKCTSLAMDAVNTDPTKAGPPGEGLRKPVPPSVPKPQSTAKPPGTPTSPVSTPSTAPAPSPLAGDQQPSSAAFIPLISTRVSLRKTRQPPERIASGTITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNKFAFREAINKLESNLRELQICPATASSGPAATQDFSKLLSSVKEISDIVRR
  
Component 2
Name:
Breakpoint cluster region protein
Synonyms:
2.7.11.1 | BCR_MOUSE | Bcr | Kiaa3017
Type:
PROTEIN
Mol. Mass.:
143075.08
Organism:
Mus musculus
Description:
ChEMBL_119369
Residue:
1270
Sequence:
MVDSVGFAEAWRAQFPDSEPPRMELRSVGDIEQELERCKASIRRLEQEVNQERFRMIYLQTLLAKEKKSYDRQRWGFRRAAQPPDGAAEPRASAPRPPPAPADGADPAPVEESEARPDGEGSPSKGRSASARRPAAAASADRDDRGPPTSVAALRSNFEKIRKGPAQPGSADAEKPFYVNVEFHHERGLVKVNDKEVSDRISSLGSQAMQMERKKSQQSAGQGLGEAPRPHYRGRSSESSCGLDGDYEDAELNPRFLKDNLINANGGNRPPWPPLEYQPYQSIYVGGMMVEGEGKSPLLRSQSTSEQEKRLTWPRRSYSPRSFEDSGGGYTPDCSSNENLTSSEEDFSSGQSSRVSPSPTTYRMFRDKSRSPSQNSQQSFDSSSPPTPQCQKRHRQCQVVVSEATIVGVRKTGQIWPSDGDSTFQGEADSSFGTPPGYGCAADQAEEQRRHQDGLPYIDDSPSSSPHLSSKGRGSLASGALDPTKVSELDLEKGLEMRKWVLSGILASEETYLSHLEALLLPMKPLKAAATTSQPVLTSQQIETIFFKVPELYEIHKEFYDGLFPRVQQWSHQQRVGDLFQKLASQLGVYRAFVDNYGVAMETAEKCCQANAQFAEISENLRARSNKDVKDSTTKNSLETLLYKPVDRVTRSTLVLHDLLKHTPSSHPDHSLLQDALRISQNFLSSINEEITPRRQSMTVKKGEHRQLLKDSFMVELVEGARKLRHIFLFTDLLLCTKLKKQSGGKTQQYDCKWYIPLTDLSFQMVDELEALPNIPLVPDEELDALKIKISQIKSDIQREKRANKGSKVMERLRKKLSEQESLLLLMSPSMAFRVHSRNGKSYTFLISSDYERAEWRESIREQQKKCFKSFSLTSVELQMLTNSCVKLQTVHHIPLTINKEDDESPGLYGFLHVIVHSATGFKQSSNLYCTLEVDSFGYFVNKAKTRVYRDTTEPNWNEEFEIELEGSQTLRILCYEKCYNKMKMTKEDGESADKLMGKGQVQLDPQTLQDRDWQRTVIDMNGIEVKLSVKFTSREFSLKRMPSRKQTGVFGVKIAVVTKRERSKVPYIVRQCVEEIERRGMEEVGIYRVSGVATDIQALKAAFDVNNKDVSVMMSEMDVNAIAGTLKLYFRELPEPLFTDEFYPNFAEGIALSDPVAKESCMLNLLLSLPEANLLTFLFLLDHLKRVAEKETVNKMSLHNLATVFGPTLLRPSEKESKLPANPSQPITMTDSWSLEVMSQVQVLLYFLQLEAIPAPDSKRQSILFSTEV
  
Inhibitor
Name:
BDBM50590370
Synonyms:
K-0706 | K0706 | Sco-088 | VODOBATINIB | Vodobatinib
Type:
Small organic molecule
Emp. Form.:
C27H20ClN3O2
Mol. Mass.:
453.92
SMILES:
Cc1ccc(cc1C#Cc1cnc2ccccc2c1)C(=O)NNC(=O)c1c(C)cccc1Cl
Structure:
Search PDB for entries with ligand similarity: