SMILES for Glutathione S-transferase A1

32 SMILES Strings for Glutathione S-transferase A1

Compound Name

SMILES String

BDBM50043762

c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N

BDBM50043763

Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1

BDBM50043764

CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NC(C(O)=O)c1ccccc1

BDBM50043759

NC(CCC(=O)NC(CSCc1ccccc1)C(=O)NCCC(O)=O)C(O)=O

BDBM50043758

CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

BDBM50043760

NC(CCC(=O)NC(CSCc1ccc(Cl)cc1)C(=O)NC(C(O)=O)c1ccccc1)C(O)=O

BDBM50043761

CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O

BDBM50054194

Oc1ccccc1C(=O)c1cc(ccc1O)-c1ccccc1

BDBM50054196

[#8]-c1ccccc1\[#6](=[#7]\[#7]-[#6](=O)-c1ccccc1)-c1ccccc1-[#8]

BDBM50054198

Oc1ccccc1C(=O)c1cc(Br)ccc1O

BDBM50054205

CC(=O)N\N=C(\c1ccccc1O)c1cc(Br)ccc1O

BDBM50186227

CCC(=C)C(O)c1ccc(OCC(=O)NCCCCCCCC(=O)NCc2cc(CNC(=O)CCCCCCCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl

BDBM50186223

CCC(=C)C(=O)c1ccc(OCC(=O)NCCCCCC(=O)NCc2cc(CNC(=O)CCCCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl

BDBM50186229

CCC(=C)C(=O)c1ccc(OCC(=O)NCC(=O)NCc2cc(CNC(=O)CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl

BDBM50186224

CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)COc3ccc(C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl

BDBM50186226

CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cccc(c2)C(N)=O)c(Cl)c1Cl

BDBM50186230

CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl

BDBM50186228

CCC(=C)C(=O)c1ccc(OCC(=O)NCc2cc(CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl

BDBM50186225

CCC(=C)C(=O)c1ccc(OCC(=O)NCCC(=O)NCc2cc(CNC(=O)CCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl

BDBM50186231

CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O

BDBM50295554

CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)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](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)C1=CC=CC=C1)C(N)=O |r,c:12,14,24,56,59,61,123,125,t:10,22,53,121|

BDBM50295555

CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)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](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)C1=CC=CC=C1)C(C)C)C(N)=O |r,c:12,14,24,49,52,54,121,123,t:10,22,46,119|

BDBM50295556

CSCC[C@H](NC(=O)[C@H](CC(C)C)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:102.110,82.92,53.61,34.35,8.12,wD:93.101,74.81,62.69,39.52,30.31,16.23,4.4,(58.32,-8.81,;56.96,-8.06,;56.94,-6.52,;55.58,-5.78,;55.55,-4.23,;54.21,-3.5,;52.89,-4.29,;52.92,-5.83,;51.54,-3.55,;51.51,-2.01,;52.83,-1.21,;52.8,.33,;54.17,-1.95,;50.22,-4.34,;48.87,-3.6,;48.85,-2.06,;47.55,-4.39,;47.58,-5.94,;48.93,-6.68,;50.33,-6.03,;51.38,-7.15,;50.63,-8.5,;49.12,-8.2,;46.21,-3.65,;44.89,-4.45,;44.92,-5.98,;43.54,-3.7,;42.22,-4.49,;40.87,-3.75,;40.84,-2.21,;39.55,-4.55,;38.21,-3.81,;36.89,-4.6,;36.92,-6.13,;35.53,-3.85,;35.51,-2.32,;34.22,-4.65,;32.87,-3.91,;32.84,-2.36,;31.55,-4.7,;31.58,-6.24,;32.93,-6.99,;34.32,-6.33,;35.38,-7.46,;34.64,-8.8,;35.13,-10.26,;34.13,-11.42,;32.62,-11.13,;32.11,-9.68,;33.12,-8.52,;30.21,-3.96,;28.89,-4.75,;28.92,-6.29,;27.54,-4.01,;27.51,-2.47,;28.83,-1.68,;28.8,-.13,;27.45,.6,;30.11,.66,;26.22,-4.8,;24.87,-4.07,;24.84,-2.52,;23.55,-4.86,;23.59,-6.4,;24.93,-7.14,;26.25,-6.35,;24.96,-8.68,;22.21,-4.11,;20.89,-4.91,;20.91,-6.45,;19.53,-4.16,;18.22,-4.95,;16.87,-4.22,;16.84,-2.67,;15.56,-5.01,;15.59,-6.55,;16.93,-7.29,;16.96,-8.83,;18.25,-6.5,;14.21,-4.27,;12.9,-5.06,;12.93,-6.59,;11.55,-4.31,;11.52,-2.78,;12.84,-1.97,;12.8,-.44,;14.12,.36,;14.08,1.89,;12.74,2.64,;15.4,2.69,;10.22,-5.11,;8.88,-4.37,;8.85,-2.82,;7.55,-5.16,;7.59,-6.7,;8.94,-7.45,;8.97,-8.98,;7.64,-9.78,;10.32,-9.73,;6.21,-4.42,;4.89,-5.21,;4.92,-6.76,;3.54,-4.48,;3.5,-2.93,;4.83,-2.14,;4.81,-.59,;3.45,.15,;6.11,.2,;2.23,-5.26,;.88,-4.52,;1.96,-3.43,;.1,-3.19,;-.19,-5.62,;-1.68,-5.24,;-2.75,-6.34,;-2.34,-7.82,;-.84,-8.2,;.23,-7.1,;39.58,-6.09,;40.93,-6.83,;38.27,-6.88,;56.87,-3.44,;58.23,-4.19,;56.84,-1.9,)|

BDBM50395590

Cn1cccc1S(=O)(=O)Cc1ccccc1\N=C\c1ccc(cc1)[N+]([O-])=O

BDBM50395591

Cn1cccc1S(=O)(=O)Cc1ccccc1[N+]([O-])=O

BDBM50601921

CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCC)c3O

BDBM50601922

CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCC)c3O)C(=O)P(O)(O)=O

BDBM50601923

CCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCC)c3O)C(=O)P(O)(O)=O

BDBM50601924

CCCCCCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCCCCCC)c3O)C(=O)P(O)(O)=O

BDBM50601925

CCCCCCCCCCCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(=O)P(O)(O)=O)c4OCCCCCCCCCCCC)c3O)C(=O)P(O)(O)=O

BDBM50601926

CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(=O)P(O)(O)=O

BDBM50615198

CC(=O)N\N=C(/c1ccccc1O)c1cc(Br)ccc1O