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Target
SHC-transforming protein 1
Ligand
BDBM50276317
Substrate
n/a
Meas. Tech.
ChEMBL_542407 (CHEMBL1010644)
Kd
7600±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:
BDBM50276317
Synonyms:
4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl)-14-((S)-2-(3-(2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanatobenzamido)propanamido)-4-methylpentanamido)-2-(hydroxymethyl)-5-isobutyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-15-yl)phenyl dihydrogen phosphate | CHEMBL508609
Type:
Small organic molecule
Emp. Form.:
C55H65N10O17PS
Mol. Mass.:
1201.2
SMILES:
CC(C)C[C@H](NC(=O)CCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:78.82,wD:70.74,57.61,41.44,4.4,(14.97,-20.33,;14.97,-18.79,;16.31,-18.02,;13.64,-18.03,;13.64,-16.48,;12.3,-15.71,;10.98,-16.47,;10.98,-18.01,;9.64,-15.7,;8.31,-16.47,;6.98,-15.7,;5.64,-16.47,;4.31,-15.7,;5.64,-18.01,;6.96,-18.78,;6.97,-20.32,;5.63,-21.09,;4.3,-20.33,;4.3,-18.79,;2.42,-18.1,;1.42,-19.29,;1.95,-20.73,;.95,-21.91,;-.56,-21.64,;-1.56,-22.81,;-1.08,-20.19,;-.1,-19.02,;-.63,-17.57,;.38,-16.39,;-.15,-14.94,;.83,-13.76,;.3,-12.32,;2.36,-14.04,;2.88,-15.47,;1.89,-16.66,;8.3,-21.09,;9.63,-21.87,;10.97,-22.64,;14.97,-15.71,;16.3,-16.48,;14.97,-14.17,;16.3,-13.4,;17.64,-14.17,;18.97,-13.4,;20.3,-14.18,;21.64,-13.39,;21.63,-11.84,;22.96,-11.07,;24.28,-11.84,;25.62,-12.61,;25.05,-10.5,;23.53,-13.16,;20.28,-11.09,;18.96,-11.87,;16.3,-11.86,;14.97,-11.09,;17.63,-11.09,;17.63,-9.55,;18.96,-8.78,;18.96,-7.24,;20.29,-6.47,;21.62,-7.23,;20.29,-4.93,;16.3,-8.78,;14.96,-9.55,;16.29,-7.24,;14.96,-6.48,;14.96,-4.94,;16.29,-4.17,;13.62,-4.17,;13.63,-2.63,;14.96,-1.86,;14.96,-.31,;16.27,.45,;13.62,.46,;12.29,-1.86,;10.96,-2.63,;12.29,-.32,;10.95,.45,;9.62,-.32,;8.28,.45,;10.95,1.99,;9.61,2.76,;12.28,2.76,)|
Structure:
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