Reaction Details Report a problem with these data
Target
SHC-transforming protein 1
Ligand
BDBM50276325
Substrate
n/a
Meas. Tech.
ChEMBL_542407 (CHEMBL1010644)
Kd
18000±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:
BDBM50276325
Synonyms:
CHEMBL501747 | 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)methyl)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.:
C54H62N9O16PS
Mol. Mass.:
1156.16
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](CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)CC1)C(=O)N[C@@H](CO)C(N)=O |r,wU:40.41,4.4,12.17,wD:21.34,75.80,37.37,(19.49,1.09,;20.82,.33,;22.16,1.09,;20.83,-1.22,;22.16,-1.99,;22.17,-3.53,;20.84,-4.3,;19.51,-3.54,;20.85,-5.83,;19.52,-6.61,;19.53,-8.15,;20.87,-8.91,;18.2,-8.92,;16.86,-8.15,;16.85,-6.61,;15.52,-5.85,;14.19,-6.62,;15.51,-4.31,;18.2,-10.46,;16.87,-11.23,;15.53,-10.47,;16.87,-12.77,;18.21,-13.54,;19.54,-12.76,;20.87,-13.54,;22.21,-12.75,;22.2,-11.21,;23.53,-10.44,;24.87,-11.2,;26.2,-11.97,;25.64,-9.86,;24.11,-12.53,;20.85,-10.45,;19.53,-11.23,;15.54,-13.54,;14.21,-12.78,;14.2,-11.24,;12.86,-13.56,;11.51,-12.82,;10.19,-13.62,;10.24,-15.16,;8.93,-15.96,;8.96,-17.5,;7.65,-18.3,;6.29,-17.56,;7.68,-19.84,;9.02,-20.58,;9.05,-22.13,;7.73,-22.93,;6.39,-22.19,;6.36,-20.65,;4.46,-20.01,;3.48,-21.22,;4.04,-22.65,;3.08,-23.85,;1.56,-23.61,;.59,-24.82,;1,-22.18,;1.96,-20.99,;1.39,-19.54,;2.37,-18.34,;1.81,-16.91,;2.76,-15.71,;2.2,-14.28,;4.3,-15.94,;4.85,-17.37,;3.89,-18.58,;10.4,-22.87,;11.76,-23.61,;13.11,-24.35,;11.58,-15.9,;12.89,-15.1,;23.5,-1.2,;24.84,-1.98,;23.49,.34,;24.82,1.1,;26.16,.34,;27.5,1.12,;24.81,2.63,;26.15,3.41,;23.47,3.39,)|
Structure:
Search PDB for entries with ligand similarity: