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Target
Proto-oncogene tyrosine-protein kinase Src
Ligand
BDBM50451556
Substrate
n/a
Meas. Tech.
ChEBML_202616
IC50
41±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]
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:
BDBM50451556
Synonyms:
CHEMBL3084838
Type:
Small organic molecule
Emp. Form.:
C23H33N7O5P2
Mol. Mass.:
549.4995
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)P(O)(=O)CP(O)(O)=O)c2ncn(C3CCCC3)c2n1 |wU:1.0,wD:4.7,(20.04,-12.53,;18.7,-11.76,;17.37,-12.53,;16.03,-11.76,;16.03,-10.22,;17.37,-9.45,;18.7,-10.22,;14.7,-9.45,;13.37,-10.22,;13.37,-11.76,;12.03,-12.53,;12.03,-14.07,;10.7,-14.84,;10.7,-16.38,;9.37,-17.15,;8.03,-16.38,;8.03,-14.84,;9.37,-14.07,;6.7,-17.15,;5.93,-15.82,;7.47,-18.48,;5.37,-17.92,;4.03,-17.15,;3.26,-18.48,;4.8,-15.82,;2.7,-16.38,;10.7,-11.76,;9.24,-12.24,;8.33,-10.99,;9.24,-9.74,;8.76,-8.28,;7.3,-7.8,;7.3,-6.26,;8.76,-5.79,;9.66,-7.03,;10.7,-10.22,;12.03,-9.45,)|
Structure:
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