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TargetGlutathione S-transferase A1
LigandBDBM50295555
Substrate/Competitorn/a
Meas. Tech.ChEMBL_579785 (CHEMBL1059686)
Ki 1700±n/a nM
Citation Axarli, I; Labrou, NE; Petrou, C; Rassias, N; Cordopatis, P; Clonis, YD Sulphonamide-based bombesin prodrug analogues for glutathione transferase, useful in targeted cancer chemotherapy. Eur J Med Chem44:2009-16 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Glutathione S-transferase A1
Name:Glutathione S-transferase A1
Synonyms:GST class-alpha member 1 | GST-epsilon | GSTA1 | GSTA1-1 | GSTA1_HUMAN | GTH1 | Glutathione S-transferase (GST) | HA subunit 1
Type:Enzyme
Mol. Mass.:25636.31
Organism:Homo sapiens (Human)
Description:Glutathione-S-Transferase (GST, N-terminally)
Residue:222
Sequence:
MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYLMFQQVPMVEI
DGMKLVQTRAILNYIASKYNLYGKDIKERALIDMYIEGIADLGEMILLLPVCPPEEKDAK
LALIKEKIKNRYFPAFEKVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDSSLISSFPL
LKALKTRISNLPTVKKFLQPGSPRKPPMDEKSLEEARKIFRF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50295555
n/a
NameBDBM50295555
Synonyms:C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-Gly-His-Phe-Met-NH2 | CHEMBL556598
TypeSmall organic molecule
Emp. Form.C80H114N24O21S2
Mol. Mass.1812.039
SMILESCSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:105.114,85.96,56.65,37.39,8.16,wD:96.105,77.85,65.73,42.56,33.35,19.27,4.4,(57.23,-24.89,;55.88,-24.13,;55.87,-22.59,;54.53,-21.83,;54.52,-20.28,;53.18,-19.53,;51.85,-20.31,;51.86,-21.85,;50.51,-19.56,;50.5,-18.01,;51.83,-17.23,;53.16,-17.99,;54.49,-17.21,;54.48,-15.67,;53.14,-14.91,;51.81,-15.69,;49.18,-20.33,;47.84,-19.58,;47.83,-18.04,;46.52,-20.36,;46.53,-21.9,;47.87,-22.65,;49.27,-22.02,;50.31,-23.15,;49.55,-24.5,;48.04,-24.18,;45.18,-19.6,;43.85,-20.38,;43.86,-21.92,;42.51,-19.62,;41.18,-20.4,;39.84,-19.65,;39.83,-18.1,;38.51,-20.42,;37.18,-19.67,;35.85,-20.45,;35.86,-21.98,;34.5,-19.69,;34.49,-18.15,;33.18,-20.47,;31.84,-19.71,;31.83,-18.17,;30.51,-20.49,;30.52,-22.03,;31.87,-22.79,;33.27,-22.15,;34.31,-23.29,;33.55,-24.62,;34.03,-26.09,;33.02,-27.24,;31.51,-26.93,;31.02,-25.48,;32.04,-24.32,;29.18,-19.73,;27.85,-20.51,;27.86,-22.06,;26.5,-19.76,;26.49,-18.22,;27.82,-17.44,;27.81,-15.89,;26.47,-15.14,;29.13,-15.12,;25.18,-20.54,;23.84,-19.78,;23.83,-18.24,;22.51,-20.56,;22.53,-22.1,;23.86,-22.86,;25.19,-22.08,;23.88,-24.4,;21.17,-19.8,;19.85,-20.58,;19.86,-22.12,;18.5,-19.83,;17.18,-20.6,;15.84,-19.85,;15.83,-18.3,;14.51,-20.63,;14.52,-22.17,;15.87,-22.92,;15.88,-24.46,;17.19,-22.14,;13.18,-19.87,;11.86,-20.65,;11.87,-22.18,;10.51,-19.89,;10.5,-18.35,;11.84,-17.58,;11.81,-16.03,;13.13,-15.26,;13.13,-13.71,;11.78,-12.96,;14.45,-12.94,;9.18,-20.67,;7.85,-19.93,;7.83,-18.38,;6.51,-20.69,;6.53,-22.23,;7.87,-22.99,;7.88,-24.53,;6.55,-25.31,;9.23,-25.29,;5.18,-19.94,;3.85,-20.73,;3.86,-22.26,;2.5,-19.96,;2.49,-18.43,;3.82,-17.63,;3.81,-16.09,;2.46,-15.34,;5.13,-15.32,;1.18,-20.74,;-.16,-19.99,;.6,-18.66,;-.94,-18.66,;-1.02,-21.26,;-2.55,-21.14,;-3.41,-22.41,;-2.75,-23.79,;-1.21,-23.9,;-.35,-22.64,;38.52,-21.97,;39.87,-22.72,;37.2,-22.74,;55.84,-19.51,;57.19,-20.27,;55.83,-17.96,)|
Structure
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