Reaction Details Report a problem with these data
Target
SHC-transforming protein 1
Ligand
BDBM50276316
Substrate
n/a
Meas. Tech.
ChEMBL_542407 (CHEMBL1010644)
Kd
4700±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:
BDBM50276316
Synonyms:
4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl)-14-(6-(2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanatobenzamido)hexanamido)-2-(hydroxymethyl)-5-isobutyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-15-yl)phenyl dihydrogen phosphate | CHEMBL526904
Type:
Small organic molecule
Emp. Form.:
C52H60N9O16PS
Mol. Mass.:
1130.122
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)CCCCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,73.77,(21.12,8.82,;22.44,8.03,;23.79,8.77,;22.41,6.46,;23.73,5.68,;23.71,4.15,;22.36,3.4,;21.04,4.19,;22.34,1.87,;20.99,1.12,;20.98,-.42,;22.29,-1.21,;19.63,-1.16,;18.3,-.37,;18.33,1.17,;17.01,1.96,;15.66,1.22,;17.03,3.5,;19.6,-2.7,;18.25,-3.45,;16.93,-2.66,;18.23,-4.99,;19.55,-5.78,;20.89,-5.03,;22.21,-5.84,;23.56,-5.07,;23.59,-3.54,;24.93,-2.79,;26.25,-3.58,;27.57,-4.37,;27.05,-2.25,;25.46,-4.89,;22.25,-2.75,;20.91,-3.5,;16.88,-5.73,;15.55,-4.97,;15.55,-3.43,;14.22,-5.74,;12.88,-4.98,;11.55,-5.75,;10.22,-4.98,;8.88,-5.75,;7.55,-4.98,;6.22,-5.75,;4.88,-4.99,;6.22,-7.3,;7.53,-8.07,;7.53,-9.61,;6.2,-10.38,;4.87,-9.61,;4.87,-8.07,;2.99,-7.39,;1.98,-8.58,;2.51,-10.02,;1.52,-11.2,;.01,-10.93,;-.99,-12.1,;-.52,-9.48,;.47,-8.31,;-.07,-6.85,;.94,-5.68,;.41,-4.23,;1.39,-3.05,;.87,-1.61,;2.92,-3.32,;3.45,-4.76,;2.45,-5.95,;8.87,-10.39,;10.2,-11.15,;11.53,-11.93,;25.08,6.44,;26.4,5.63,;25.1,7.98,;26.45,8.72,;27.77,7.94,;29.13,8.69,;26.47,10.25,;27.83,11.01,;25.15,11.03,)|
Structure:
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