Reaction Details Report a problem with these data
Target
SHC-transforming protein 1
Ligand
BDBM50276332
Substrate
n/a
Meas. Tech.
ChEMBL_542407 (CHEMBL1010644)
Kd
12300±n/a nM
Citation
 Choi, WJ; Kim, SE; Stephen, AG; Weidlich, I; Giubellino, A; Liu, F; Worthy, KM; Bindu, L; Fivash, MJ; Nicklaus, MC; Bottaro, DP; Fisher, RJ; Burke, TR Identification of Shc Src homology 2 domain-binding peptoid-peptide hybrids. J Med Chem 52:1612-8 (2009) [PubMed]  Article 
Target
Name:
SHC-transforming protein 1
Synonyms:
SHC | SHC1 | SHC1_HUMAN | SHCA
Type:
PROTEIN
Mol. Mass.:
62820.39
Organism:
Homo sapiens (Human)
Description:
ChEMBL_542407
Residue:
583
Sequence:
MDLLPPKPKYNPLRNESLSSLEEGASGSTPPEELPSPSASSLGPILPPLPGDDSPTTLCSFFPRMSNLRLANPAGGRPGSKGEPGRAADDGEGIVGAAMPDSGPLPLLQDMNKLSGGGGRRTRVEGGQLGGEEWTRHGSFVNKPTRGWLHPNDKVMGPGVSYLVRYMGCVEVLQSMRALDFNTRTQVTREAISLVCEAVPGAKGATRRRKPCSRPLSSILGRSNLKFAGMPITLTVSTSSLNLMAADCKQIIANHHMQSISFASGGDPDTAEYVAYVAKDPVNQRACHILECPEGLAQDVISTIGQAFELRFKQYLRNPPKLVTPHDRMAGFDGSAWDEEEEEPPDHQYYNDFPGKEPPLGGVVDMRLREGAAPGAARPTAPNAQTPSHLGATLPVGQPVGGDPEVRKQMPPPPPCPGRELFDDPSYVNVQNLDKARQAVGGAGPPNPAINGSAPRDLFDMKPFEDALRVPPPPQSVSMAEQLRGEPWFHGKLSRREAEALLQLNGDFLVRESTTTPGQYVLTGLQSGQPKHLLLVDPEGVVRTKDHRFESVSHLISYHMDNHLPIISAGSELCLQQPVERKL
  
Inhibitor
Name:
BDBM50276332
Synonyms:
4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl)-14-(4-((2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanatobenzamido)methyl)benzamido)-2-(hydroxymethyl)-5-isobutyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-15-yl)phenyl dihydrogen phosphate | CHEMBL449070
Type:
Small organic molecule
Emp. Form.:
C54H56N9O16PS
Mol. Mass.:
1150.112
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)cc1)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,75.80,(24.22,-5.78,;24.38,-7.31,;25.79,-7.94,;23.13,-8.23,;23.3,-9.76,;21.98,-10.54,;20.63,-9.79,;20.61,-8.26,;19.32,-10.57,;17.97,-9.82,;16.65,-10.61,;16.67,-12.15,;15.31,-9.85,;15.29,-8.31,;16.62,-7.52,;16.6,-5.98,;15.26,-5.22,;17.92,-5.2,;13.98,-10.63,;12.64,-9.87,;12.62,-8.33,;11.32,-10.66,;11.33,-12.21,;12.68,-12.95,;12.68,-14.5,;14.04,-15.25,;15.36,-14.47,;16.7,-15.22,;16.72,-16.76,;16.74,-18.3,;18.27,-16.74,;15.19,-16.78,;15.33,-12.92,;13.99,-12.17,;9.98,-9.9,;9.95,-8.37,;11.28,-7.58,;8.64,-7.56,;7.29,-8.29,;5.98,-7.48,;6.03,-5.94,;4.72,-5.14,;4.76,-3.59,;3.43,-2.82,;3.44,-1.28,;2.09,-3.59,;2.08,-5.11,;.73,-5.88,;-.6,-5.1,;-.59,-3.56,;.75,-2.8,;.76,-.8,;-.69,-.25,;-1.87,-1.23,;-3.32,-.69,;-3.57,.82,;-5.02,1.37,;-2.38,1.8,;-.95,1.27,;.24,2.26,;1.69,1.71,;2.87,2.7,;4.32,2.17,;5.5,3.15,;4.57,.63,;3.4,-.34,;1.94,.19,;.72,-7.42,;.72,-8.96,;.71,-10.5,;7.37,-5.2,;8.69,-6.02,;24.65,-10.51,;24.66,-12.06,;25.97,-9.72,;27.31,-10.48,;27.34,-12.02,;28.69,-12.79,;28.63,-9.7,;29.98,-10.46,;28.59,-8.17,)|
Structure:
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