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Target
Proto-oncogene tyrosine-protein kinase Src
Ligand
BDBM50451554
Substrate
n/a
Meas. Tech.
ChEBML_202616
IC50
15700±n/a nM
Citation
 Wang, Y; Metcalf, CA; Shakespeare, WC; Sundaramoorthi, R; Keenan, TP; Bohacek, RS; van Schravendijk, MR; Violette, SM; Narula, SS; Dalgarno, DC; Haraldson, C; Keats, J; Liou, S; Mani, U; Pradeepan, S; Ram, M; Adams, S; Weigele, M; Sawyer, TK Bone-targeted 2,6,9-trisubstituted purines: novel inhibitors of Src tyrosine kinase for the treatment of bone diseases. Bioorg Med Chem Lett 13:3067-70 (2003) [PubMed]  Article 
Target
Name:
Proto-oncogene tyrosine-protein kinase Src
Synonyms:
Calmodulin/Proto-oncogene tyrosine-protein kinase Src | Protein cereblon/Tyrosine-protein kinase SRC | Proto-oncogene c-Src | Proto-oncogene tyrosine-protein kinase Src (c-Src) | SRC | SRC1 | SRC_HUMAN | Tyrosine-protein kinase Src (SRC) | V-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog (avian) | c-Src | p60-Src | pp60c-src
Type:
Protein
Mol. Mass.:
59838.60
Organism:
Homo sapiens (Human)
Description:
P12931
Residue:
536
Sequence:
MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
  
Inhibitor
Name:
BDBM50451554
Synonyms:
CHEMBL3085229
Type:
Small organic molecule
Emp. Form.:
C22H31N7O6P2
Mol. Mass.:
551.4724
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncn(C3CCCC3)c2n1 |wU:4.7,wD:1.0,(14.8,-4.02,;14.8,-5.56,;13.47,-6.33,;13.47,-7.87,;14.8,-8.64,;16.13,-7.87,;16.13,-6.33,;14.8,-10.18,;13.47,-10.95,;13.47,-12.49,;12.13,-13.26,;12.13,-14.8,;13.47,-15.57,;14.8,-14.8,;16.13,-15.57,;16.13,-17.11,;14.8,-17.88,;13.47,-17.11,;14.8,-19.42,;14.8,-20.96,;16.26,-19.9,;13.26,-19.42,;17.47,-17.88,;18.8,-18.65,;18.24,-16.55,;16.7,-19.22,;10.8,-12.49,;9.33,-12.97,;8.43,-11.72,;9.33,-10.48,;8.86,-9.01,;7.39,-8.54,;7.39,-7,;8.86,-6.52,;9.76,-7.77,;10.8,-10.95,;12.13,-10.18,)|
Structure:
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