Reaction Details Report a problem with these data
Target
SHC-transforming protein 1
Ligand
BDBM50276315
Substrate
n/a
Meas. Tech.
ChEMBL_542407 (CHEMBL1010644)
Kd
350±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:
BDBM50276315
Synonyms:
4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl)-14-(5-(2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanatobenzamido)pentanamido)-2-(hydroxymethyl)-5-isobutyl-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-15-yl)phenyl dihydrogen phosphate | CHEMBL505574
Type:
Small organic molecule
Emp. Form.:
C51H58N9O16PS
Mol. Mass.:
1116.096
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)CCCCNC(=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:21.34,72.76,(25.07,1.94,;25.09,.4,;26.43,-.36,;23.76,-.4,;23.79,-1.93,;22.47,-2.72,;21.12,-1.98,;21.09,-.44,;19.81,-2.76,;18.46,-2.01,;17.15,-2.81,;17.17,-4.34,;15.8,-2.05,;15.78,-.51,;17.1,.28,;17.08,1.82,;15.74,2.57,;18.4,2.61,;14.48,-2.84,;13.13,-2.09,;13.11,-.55,;11.81,-2.88,;11.84,-4.42,;13.18,-5.17,;13.19,-6.71,;14.55,-7.46,;15.87,-6.67,;17.21,-7.41,;17.24,-8.96,;17.26,-10.49,;18.79,-8.93,;15.7,-8.98,;15.84,-5.12,;14.49,-4.38,;10.47,-2.13,;9.14,-2.9,;9.14,-4.44,;7.8,-2.13,;6.47,-2.9,;5.14,-2.13,;3.8,-2.9,;2.47,-2.14,;1.14,-2.91,;-.2,-2.14,;1.14,-4.45,;2.45,-5.22,;2.45,-6.77,;1.12,-7.53,;-.21,-6.77,;-.21,-5.23,;-2.09,-4.54,;-3.1,-5.73,;-2.57,-7.17,;-3.56,-8.35,;-5.07,-8.08,;-6.07,-9.26,;-5.59,-6.63,;-4.61,-5.46,;-5.15,-4.01,;-4.14,-2.83,;-4.67,-1.39,;-3.69,-.2,;-4.21,1.24,;-2.16,-.47,;-1.63,-1.91,;-2.63,-3.1,;3.79,-7.54,;5.12,-8.31,;6.46,-9.08,;25.14,-2.68,;25.16,-4.23,;26.46,-1.89,;27.8,-2.65,;27.83,-4.18,;29.18,-4.94,;29.11,-1.86,;30.47,-2.61,;29.08,-.32,)|
Structure:
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