Reaction Details Report a problem with these data
Target
SHC-transforming protein 1
Ligand
BDBM50276330
Substrate
n/a
Meas. Tech.
ChEMBL_542407 (CHEMBL1010644)
Kd
25400±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:
BDBM50276330
Synonyms:
CHEMBL454258 | trans-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)cyclohexanecarboxamido)-2-(hydroxymethyl)-5-isobutyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-15-yl)phenyl dihydrogen phosphate
Type:
Small organic molecule
Emp. Form.:
C53H60N9O16PS
Mol. Mass.:
1142.133
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)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,40.44,wD:21.34,74.79,37.37,(26.4,-8.77,;26.55,-10.3,;27.95,-10.95,;25.29,-11.2,;25.44,-12.73,;24.11,-13.5,;22.77,-12.73,;22.77,-11.2,;21.45,-13.5,;20.12,-12.72,;18.78,-13.5,;18.78,-15.04,;17.45,-12.73,;17.45,-11.19,;18.79,-10.41,;18.79,-8.88,;17.46,-8.1,;20.12,-8.11,;16.11,-13.49,;14.78,-12.72,;14.78,-11.18,;13.45,-13.49,;13.45,-15.04,;14.78,-15.8,;14.76,-17.35,;16.11,-18.12,;17.45,-17.34,;18.78,-18.11,;18.78,-19.65,;18.78,-21.19,;20.33,-19.65,;17.25,-19.65,;17.44,-15.79,;16.1,-15.03,;12.12,-12.72,;12.11,-11.18,;13.45,-10.41,;10.81,-10.36,;10.88,-8.81,;9.57,-7.99,;8.22,-8.71,;8.15,-10.25,;9.45,-11.07,;6.92,-7.89,;6.98,-6.36,;8.34,-5.64,;5.67,-5.53,;4.32,-6.24,;3.01,-5.41,;3.07,-3.87,;4.43,-3.16,;5.73,-3.98,;7.5,-3.05,;7.3,-1.51,;5.88,-.93,;5.67,.6,;6.89,1.54,;6.69,3.07,;8.32,.95,;8.52,-.57,;9.96,-1.15,;10.15,-2.69,;11.58,-3.26,;11.79,-4.79,;13.21,-5.37,;10.56,-5.74,;9.14,-5.16,;8.93,-3.62,;1.64,-6.13,;.28,-6.85,;-1.09,-7.57,;26.78,-13.5,;26.77,-15.05,;28.12,-12.73,;29.44,-13.51,;29.45,-15.04,;30.79,-15.82,;30.77,-12.74,;32.11,-13.51,;30.75,-11.21,)|
Structure:
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