Receptor
PDB id Resolution Class Description Source Keywords
19gs 1.9 Å EC: 2.5.1.18 GLUTATHIONE S-TRANSFERASE P1-1 HOMO SAPIENS GLUTATHIONE TRANSFERASE LIGAND BROMOSULFALEIN DETOXIFICATTRANSFERASE
Ref.: THE LIGANDIN (NON-SUBSTRATE) BINDING SITE OF HUMAN GLUTATHIONE TRANSFERASE IS LOCATED IN THE ELECTROPH BINDING SITE (H-SITE). J.MOL.BIOL. V. 291 913 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BSP A:210;
B:210;
 Valid;
Valid;
 none;
none;
 submit data
792.018 C20 H8 Br4 O10 S2 c1cc(...
GSH A:211;
B:211;
 Valid;
Valid;
 none;
none;
 submit data
307.323 C10 H17 N3 O6 S C(CC(...
MES A:212;
B:212;
 Invalid;
Invalid;
 none;
none;
 submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IE3 1.8 Å EC: 2.5.1.18 STRUCTURAL BASIS FOR THE BINDING OF THE ANTI-CANCER COMPOUND NITRO-2,1,3-BENZOXADIAZOL-4-YLTHIO)HEXANOL (NBDHEX) TO HUMAG LUTATHIONE S-TRANSFERASES HOMO SAPIENS DETOXIFICATION MULTIDRUG RESISTANCE CANCER TREATMENT PHOSPHOPROTEIN TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS FOR THE BINDING OF THE ANTICANCER 6-(7-NITRO-2,1,3-BENZOXADIAZOL-4-YLTHIO)HEXANOL TO GLUTATHIONE S-TRANSFERASES CANCER RES. V. 69 8025 2009
Members (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 1AQX - GTD C16 H20 N6 O12 S C1=C(C(C(=....
2 13GS Ki = 24 uM SAS C18 H14 N4 O5 S c1ccnc(c1)....
3 17GS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
4 2A2S Ka = 3300 M^-1 GSN C10 H14 N4 O7 S C(CC(=O)N[....
5 3CSH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 1KBN - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 1LBK Kd = 668 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 2PGT - GPR C24 H27 N3 O7 S c1ccc2c(c1....
9 12GS - 0HH C19 H35 N3 O6 S CCCCCCCCCS....
10 19GS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
11 3CSJ - CBL C14 H19 Cl2 N O2 c1cc(ccc1C....
12 3GUS Kd = 0.9 uM N11 C12 H15 N3 O4 S c1cc(c2c(c....
13 3CSI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
14 10GS Ki = 0.4 uM VWW C23 H27 N3 O6 S c1ccc(cc1)....
15 3HJO - EAA C13 H12 Cl2 O4 CCC(=C)C(=....
16 4PGT - GBX C30 H27 N3 O9 S c1cc2ccc3c....
17 2J9H Ki = 410 uM GTX C16 H30 N3 O6 S CCCCCCSC[C....
18 11GS Ki = 1.5 uM GSH EAA n/a n/a
19 2GSS Ki = 11.5 uM EAA C13 H12 Cl2 O4 CCC(=C)C(=....
20 7GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
21 1AQW - GSH C10 H17 N3 O6 S C(CC(=O)N[....
22 1PGT - GTX C16 H30 N3 O6 S CCCCCCSC[C....
23 3KM6 - EAA C13 H12 Cl2 O4 CCC(=C)C(=....
24 3PGT - GBX C30 H27 N3 O9 S c1cc2ccc3c....
25 2A2R Ka = 3300 M^-1 GSN C10 H14 N4 O7 S C(CC(=O)N[....
26 1MD4 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
27 4GSS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
28 3GSS Ki = 1.5 uM GSH EAA n/a n/a
29 18GS - GDN C16 H19 N5 O10 S c1cc(c(cc1....
30 1PX6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
31 3DGQ ic50 = 12 uM EAA C13 H12 Cl2 O4 CCC(=C)C(=....
32 9GSS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
33 3DD3 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
34 1AQV - 0HG C17 H23 Br N3 O6 S c1cc(ccc1C....
35 6AP9 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
36 5JCW - GVX C19 H26 N4 O6 S2 c1ccc(cc1)....
37 3IE3 Kd = 0.21 uM N11 C12 H15 N3 O4 S c1cc(c2c(c....
38 5GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
39 6GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
40 1MD3 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
41 8GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
42 6LLX - GSH C10 H17 N3 O6 S C(CC(=O)N[....
43 5J41 Ki = 199 uM 3LF GSH n/a n/a
44 1PX7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 1AQX - GTD C16 H20 N6 O12 S C1=C(C(C(=....
2 13GS Ki = 24 uM SAS C18 H14 N4 O5 S c1ccnc(c1)....
3 17GS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
4 2A2S Ka = 3300 M^-1 GSN C10 H14 N4 O7 S C(CC(=O)N[....
5 3CSH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 1KBN - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 1LBK Kd = 668 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 2PGT - GPR C24 H27 N3 O7 S c1ccc2c(c1....
9 12GS - 0HH C19 H35 N3 O6 S CCCCCCCCCS....
10 19GS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
11 3CSJ - CBL C14 H19 Cl2 N O2 c1cc(ccc1C....
12 3GUS Kd = 0.9 uM N11 C12 H15 N3 O4 S c1cc(c2c(c....
13 3CSI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
14 10GS Ki = 0.4 uM VWW C23 H27 N3 O6 S c1ccc(cc1)....
15 3HJO - EAA C13 H12 Cl2 O4 CCC(=C)C(=....
16 4PGT - GBX C30 H27 N3 O9 S c1cc2ccc3c....
17 2J9H Ki = 410 uM GTX C16 H30 N3 O6 S CCCCCCSC[C....
18 11GS Ki = 1.5 uM GSH EAA n/a n/a
19 2GSS Ki = 11.5 uM EAA C13 H12 Cl2 O4 CCC(=C)C(=....
20 7GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
21 1AQW - GSH C10 H17 N3 O6 S C(CC(=O)N[....
22 1PGT - GTX C16 H30 N3 O6 S CCCCCCSC[C....
23 3KM6 - EAA C13 H12 Cl2 O4 CCC(=C)C(=....
24 3PGT - GBX C30 H27 N3 O9 S c1cc2ccc3c....
25 2A2R Ka = 3300 M^-1 GSN C10 H14 N4 O7 S C(CC(=O)N[....
26 1MD4 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
27 4GSS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
28 3GSS Ki = 1.5 uM GSH EAA n/a n/a
29 18GS - GDN C16 H19 N5 O10 S c1cc(c(cc1....
30 1PX6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
31 3DGQ ic50 = 12 uM EAA C13 H12 Cl2 O4 CCC(=C)C(=....
32 9GSS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
33 3DD3 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
34 1AQV - 0HG C17 H23 Br N3 O6 S c1cc(ccc1C....
35 6AP9 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
36 5JCW - GVX C19 H26 N4 O6 S2 c1ccc(cc1)....
37 3IE3 Kd = 0.21 uM N11 C12 H15 N3 O4 S c1cc(c2c(c....
38 5GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
39 6GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
40 1MD3 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
41 8GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
42 6LLX - GSH C10 H17 N3 O6 S C(CC(=O)N[....
43 5J41 Ki = 199 uM 3LF GSH n/a n/a
44 1PX7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
45 1GLQ - GTB C17 H22 N4 O8 S c1cc(ccc1C....
46 2GLR - GTX C16 H30 N3 O6 S CCCCCCSC[C....
47 3O76 - GTB C17 H22 N4 O8 S c1cc(ccc1C....
48 1GLP - GTS C10 H17 N3 O9 S C(CC(=O)N[....
49 1GSY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50 2GSR Ki = 4 uM GTS C10 H17 N3 O9 S C(CC(=O)N[....
50% Homology Family (83)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1AQX - GTD C16 H20 N6 O12 S C1=C(C(C(=....
2 13GS Ki = 24 uM SAS C18 H14 N4 O5 S c1ccnc(c1)....
3 17GS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
4 2A2S Ka = 3300 M^-1 GSN C10 H14 N4 O7 S C(CC(=O)N[....
5 3CSH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 1KBN - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 1LBK Kd = 668 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 2PGT - GPR C24 H27 N3 O7 S c1ccc2c(c1....
9 12GS - 0HH C19 H35 N3 O6 S CCCCCCCCCS....
10 19GS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
11 3CSJ - CBL C14 H19 Cl2 N O2 c1cc(ccc1C....
12 3GUS Kd = 0.9 uM N11 C12 H15 N3 O4 S c1cc(c2c(c....
13 3CSI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
14 10GS Ki = 0.4 uM VWW C23 H27 N3 O6 S c1ccc(cc1)....
15 3HJO - EAA C13 H12 Cl2 O4 CCC(=C)C(=....
16 4PGT - GBX C30 H27 N3 O9 S c1cc2ccc3c....
17 2J9H Ki = 410 uM GTX C16 H30 N3 O6 S CCCCCCSC[C....
18 1AQW - GSH C10 H17 N3 O6 S C(CC(=O)N[....
19 1PGT - GTX C16 H30 N3 O6 S CCCCCCSC[C....
20 3KM6 - EAA C13 H12 Cl2 O4 CCC(=C)C(=....
21 3PGT - GBX C30 H27 N3 O9 S c1cc2ccc3c....
22 2A2R Ka = 3300 M^-1 GSN C10 H14 N4 O7 S C(CC(=O)N[....
23 1MD4 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
24 4GSS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
25 3GSS Ki = 1.5 uM GSH EAA n/a n/a
26 18GS - GDN C16 H19 N5 O10 S c1cc(c(cc1....
27 1PX6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
28 3DGQ ic50 = 12 uM EAA C13 H12 Cl2 O4 CCC(=C)C(=....
29 9GSS - GTX C16 H30 N3 O6 S CCCCCCSC[C....
30 3DD3 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
31 1AQV - 0HG C17 H23 Br N3 O6 S c1cc(ccc1C....
32 6AP9 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
33 5JCW - GVX C19 H26 N4 O6 S2 c1ccc(cc1)....
34 3IE3 Kd = 0.21 uM N11 C12 H15 N3 O4 S c1cc(c2c(c....
35 5GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
36 6GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
37 1MD3 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
38 8GSS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
39 6LLX - GSH C10 H17 N3 O6 S C(CC(=O)N[....
40 5J41 Ki = 199 uM 3LF GSH n/a n/a
41 1PX7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
42 1GLQ - GTB C17 H22 N4 O8 S c1cc(ccc1C....
43 2GLR - GTX C16 H30 N3 O6 S CCCCCCSC[C....
44 1GLP - GTS C10 H17 N3 O9 S C(CC(=O)N[....
45 1GSY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
46 1B4P - GPS C24 H27 N3 O7 S c1ccc2c(c1....
47 1YJ6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
48 1XW6 Kd = 2.4 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
49 1TU7 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50 3CRU - GSH C10 H17 N3 O6 S C(CC(=O)N[....
51 1GNE - GSH C10 H17 N3 O6 S C(CC(=O)N[....
52 1DUG - GSH C10 H17 N3 O6 S C(CC(=O)N[....
53 1UA5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
54 1M9A - GTX C16 H30 N3 O6 S CCCCCCSC[C....
55 3CRT - GSH C10 H17 N3 O6 S C(CC(=O)N[....
56 1M99 - GTS C10 H17 N3 O9 S C(CC(=O)N[....
57 2GST Ki = 0.85 uM GPS C24 H27 N3 O7 S c1ccc2c(c1....
58 5FWG - GPR C24 H27 N3 O7 S c1ccc2c(c1....
59 6GST - GSH C10 H17 N3 O6 S C(CC(=O)N[....
60 3FYG - GPR C24 H27 N3 O7 S c1ccc2c(c1....
61 3GST Ki = 0.19 uM GPR C24 H27 N3 O7 S c1ccc2c(c1....
62 5GST - GDN C16 H19 N5 O10 S c1cc(c(cc1....
63 6GSU - GPS C24 H27 N3 O7 S c1ccc2c(c1....
64 1MTC - GPR C24 H27 N3 O7 S c1ccc2c(c1....
65 6GSV - GPS C24 H27 N3 O7 S c1ccc2c(c1....
66 6GSW - GPS C24 H27 N3 O7 S c1ccc2c(c1....
67 4GST - GTD C16 H20 N6 O12 S C1=C(C(C(=....
68 6GSX - GPS C24 H27 N3 O7 S c1ccc2c(c1....
69 1YKC - GDS C20 H32 N6 O12 S2 C(CC(=O)N[....
70 2C4J - GSO C18 H25 N3 O7 S c1ccc(cc1)....
71 3GUR - GSH C10 H17 N3 O6 S C(CC(=O)N[....
72 2AB6 - GSM C11 H19 N3 O6 S CSC[C@@H](....
73 1HNA - GDN C16 H19 N5 O10 S c1cc(c(cc1....
74 1XW5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
75 5AN1 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
76 4WR5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
77 4WR4 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
78 3ISO - GSH C10 H17 N3 O6 S C(CC(=O)N[....
79 4L5O - GSH C10 H17 N3 O6 S C(CC(=O)N[....
80 4L5L - GSH C10 H17 N3 O6 S C(CC(=O)N[....
81 2GSR Ki = 4 uM GTS C10 H17 N3 O9 S C(CC(=O)N[....
82 2FHE - GSH C10 H17 N3 O6 S C(CC(=O)N[....
83 1GSU - GTX C16 H30 N3 O6 S CCCCCCSC[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BSP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BSP 1 1
Ligand no: 2; Ligand: GSH; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GDS 0.672727 0.837209
6 GS8 0.672727 0.840909
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 BWS 0.581818 0.871795
16 TS5 0.573529 0.880952
17 0HH 0.528571 0.782609
18 GSB 0.528571 0.878049
19 KSN 0.528302 0.789474
20 GSO 0.521127 0.857143
21 BOB 0.493506 0.75
22 GTB 0.493333 0.631579
23 P9H 0.486842 0.857143
24 GBI 0.486842 0.782609
25 48T 0.481013 0.8
26 L9X 0.480519 0.62069
27 GTD 0.480519 0.6
28 ESG 0.480519 0.62069
29 1R4 0.474359 0.62069
30 GIP 0.474359 0.6
31 GPS 0.468354 0.72
32 GPR 0.468354 0.72
33 GBP 0.468354 0.6
34 GAZ 0.457831 0.679245
35 GVX 0.45679 0.8
36 HFV 0.447761 0.8
37 ASV 0.446154 0.9
38 GNB 0.445783 0.6
39 W05 0.444444 0.923077
40 VB1 0.444444 0.9
41 LZ6 0.436782 0.692308
42 ACV 0.430769 0.878049
43 BCV 0.424242 0.9
44 CDH 0.424242 0.818182
45 2G2 0.42029 0.615385
46 HGA 0.42 0.622222
47 M8F 0.411765 0.837209
48 MEQ 0.411765 0.658537
49 TS4 0.410256 0.804348
50 M9F 0.405797 0.837209
51 KKA 0.4 0.894737
52 M2W 0.4 0.8
53 ACW 0.4 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: BSP; Similar ligands found: 449
No: Ligand Similarity coefficient
1 PHH 0.9957
2 K6X 0.9812
3 TBS 0.9736
4 K8X 0.9696
5 K17 0.9675
6 CFF 0.9657
7 K32 0.9499
8 TEP 0.9496
9 LI6 0.9483
10 BDP 0.9425
11 NTZ 0.9424
12 QWW 0.9414
13 BGC 0.9397
14 K22 0.9392
15 9KT 0.9379
16 QX2 0.9376
17 PCI 0.9360
18 ISE 0.9347
19 AZ9 0.9322
20 HQD 0.9312
21 PFB 0.9306
22 VK3 0.9299
23 G1O 0.9273
24 NQ 0.9272
25 37T 0.9260
26 SKA 0.9260
27 TOF 0.9256
28 GLC 0.9243
29 C2U 0.9229
30 DQN 0.9227
31 HJP 0.9221
32 G12 0.9206
33 F3B 0.9203
34 9MG 0.9194
35 DIU 0.9190
36 G3F 0.9176
37 GIM 0.9171
38 JUG 0.9169
39 4AA 0.9168
40 QSH 0.9161
41 7W1 0.9160
42 TTL 0.9157
43 IBF 0.9154
44 BNT 0.9145
45 RXA 0.9143
46 2AK 0.9142
47 FDB 0.9127
48 UQ 0.9120
49 CLZ 0.9118
50 BCF 0.9117
51 BBF 0.9113
52 H33 0.9111
53 8S0 0.9107
54 HTP 0.9106
55 209 0.9102
56 AEZ 0.9100
57 PXL 0.9096
58 HFB 0.9095
59 7B3 0.9088
60 ZVO 0.9087
61 R8V 0.9086
62 INS 0.9086
63 AZ8 0.9082
64 KGK 0.9082
65 PE0 0.9081
66 AJ2 0.9076
67 4MU 0.9068
68 FOT 0.9066
69 QWN 0.9065
70 39A 0.9065
71 PBR 0.9065
72 BCP 0.9063
73 4HC 0.9060
74 4Z4 0.9057
75 M6N 0.9056
76 FGZ 0.9055
77 JBQ 0.9054
78 RPQ 0.9052
79 HZQ 0.9051
80 0FN 0.9050
81 NDM 0.9049
82 PYQ 0.9047
83 3MG 0.9047
84 3WA 0.9045
85 86J 0.9044
86 L7T 0.9043
87 MEW 0.9043
88 CTS 0.9038
89 JXN 0.9023
90 UNC 0.9021
91 K37 0.9019
92 B57 0.9018
93 39O 0.9017
94 QXW 0.9017
95 PQ0 0.9015
96 DMD 0.9015
97 GCU 0.9015
98 DX4 0.9014
99 582 0.9013
100 MT0 0.9009
101 MVL 0.9008
102 6GU 0.9005
103 5WY 0.9004
104 M5K 0.9003
105 BEA 0.9001
106 GDE 0.9001
107 BOA 0.8998
108 E7R 0.8996
109 EQT 0.8990
110 2FQ 0.8989
111 KJ5 0.8989
112 XAN 0.8985
113 AQO 0.8985
114 3F0 0.8984
115 680 0.8983
116 1XM 0.8976
117 NID 0.8975
118 0P6 0.8971
119 LT2 0.8970
120 9DG 0.8970
121 IJZ 0.8970
122 1LM 0.8969
123 M1A 0.8963
124 D07 0.8960
125 1P7 0.8957
126 24W 0.8956
127 1NP 0.8956
128 M0Q 0.8955
129 7VS 0.8951
130 0CU 0.8950
131 APZ 0.8950
132 GTR 0.8948
133 GUN 0.8948
134 Q24 0.8948
135 495 0.8947
136 4XH 0.8945
137 141 0.8944
138 32X 0.8943
139 EVA 0.8942
140 A2F 0.8942
141 67N 0.8942
142 MT5 0.8941
143 0N7 0.8940
144 SYA 0.8940
145 12Q 0.8939
146 KUF 0.8937
147 HH5 0.8935
148 4AN 0.8935
149 M1Q 0.8932
150 LGC 0.8931
151 YH7 0.8929
152 AJY 0.8928
153 KJY 0.8928
154 AZA 0.8927
155 HQY 0.8927
156 3M0 0.8927
157 E7Z 0.8927
158 HQT 0.8924
159 0FO 0.8922
160 SHG 0.8921
161 IGA 0.8917
162 7W4 0.8917
163 4M0 0.8915
164 3HA 0.8913
165 X05 0.8913
166 X8D 0.8912
167 MUA 0.8912
168 5B1 0.8909
169 GRE 0.8907
170 ES1 0.8907
171 N5J 0.8906
172 GCW 0.8904
173 8CM 0.8904
174 JBH 0.8903
175 3IT 0.8902
176 7B4 0.8901
177 B60 0.8900
178 INE 0.8896
179 5Q0 0.8895
180 5IQ 0.8892
181 DHQ 0.8892
182 5QY 0.8891
183 12B 0.8891
184 6AP 0.8890
185 5SG 0.8888
186 8XQ 0.8888
187 A7W 0.8888
188 QPR 0.8888
189 KFH 0.8887
190 KT7 0.8886
191 H5B 0.8886
192 7ZE 0.8886
193 5CL 0.8885
194 JPZ 0.8883
195 5WV 0.8883
196 6VD 0.8882
197 M1H 0.8881
198 DBH 0.8881
199 Q6T 0.8880
200 QSB 0.8879
201 XQ0 0.8878
202 AZG 0.8878
203 5WX 0.8878
204 JYB 0.8877
205 GTQ 0.8877
206 290 0.8877
207 GCB 0.8876
208 4YS 0.8876
209 VNL 0.8875
210 TTY 0.8873
211 G3E 0.8872
212 K44 0.8872
213 5RO 0.8871
214 JBK 0.8868
215 BHA 0.8868
216 FA0 0.8867
217 4NC 0.8867
218 DPZ 0.8866
219 P9P 0.8865
220 IV2 0.8863
221 MAQ 0.8860
222 5QX 0.8857
223 B62 0.8856
224 QX4 0.8855
225 HH8 0.8855
226 XHP 0.8852
227 DIN 0.8851
228 6M1 0.8849
229 3PF 0.8847
230 226 0.8844
231 F5B 0.8843
232 KJH 0.8842
233 EA1 0.8841
234 5CU 0.8838
235 HNQ 0.8836
236 DNC 0.8836
237 4JQ 0.8835
238 DRL 0.8835
239 MRW 0.8834
240 MXX 0.8833
241 0TU 0.8831
242 UAN 0.8830
243 FLV 0.8828
244 D48 0.8828
245 M0W 0.8827
246 7NI 0.8826
247 IHB 0.8825
248 SE2 0.8824
249 6BL 0.8824
250 DOB 0.8823
251 5RG 0.8822
252 ES5 0.8818
253 JB5 0.8817
254 CFP 0.8817
255 7WR 0.8816
256 1XN 0.8816
257 J9W 0.8815
258 PEY 0.8811
259 SKM 0.8811
260 4ME 0.8810
261 JLZ 0.8810
262 DHB 0.8809
263 1KP 0.8808
264 4A3 0.8808
265 3HM 0.8806
266 DQU 0.8805
267 ADK 0.8805
268 CHB 0.8805
269 5M0 0.8802
270 6F0 0.8802
271 JG8 0.8802
272 ZYR 0.8801
273 ADZ 0.8801
274 4YO 0.8797
275 GXY 0.8796
276 6ME 0.8796
277 JU2 0.8795
278 I6G 0.8795
279 2ZV 0.8792
280 LDR 0.8791
281 FHB 0.8788
282 ORO 0.8787
283 DNA 0.8784
284 OA3 0.8783
285 0XT 0.8782
286 5JQ 0.8782
287 44W 0.8775
288 3Z8 0.8775
289 X09 0.8774
290 HLZ 0.8773
291 F31 0.8773
292 3ID 0.8772
293 5NU 0.8771
294 J5I 0.8770
295 BRV 0.8770
296 UFV 0.8764
297 9AP 0.8763
298 18N 0.8763
299 KIB 0.8763
300 92K 0.8761
301 44V 0.8760
302 Q7A 0.8760
303 6RQ 0.8760
304 AJV 0.8759
305 MVN 0.8759
306 93K 0.8759
307 KKN 0.8759
308 INO 0.8758
309 FE DB1 0.8758
310 KJU 0.8757
311 MQN 0.8754
312 9TW 0.8749
313 AKH 0.8748
314 THA 0.8748
315 15E 0.8747
316 MT8 0.8747
317 QBK 0.8744
318 6CS 0.8742
319 1X7 0.8741
320 COU 0.8740
321 UFO 0.8740
322 2ZQ 0.8739
323 6MP 0.8737
324 I3C 0.8737
325 54G 0.8737
326 NNO 0.8736
327 PH2 0.8736
328 BE2 0.8736
329 42C 0.8735
330 KIF 0.8733
331 SAL 0.8730
332 AA 0.8729
333 OTW 0.8729
334 XAZ 0.8729
335 DNF 0.8729
336 9FL 0.8728
337 BZ3 0.8723
338 6X9 0.8723
339 HHA 0.8723
340 TIY 0.8722
341 MYJ 0.8721
342 CWS 0.8720
343 5RN 0.8719
344 F05 0.8717
345 XQK 0.8715
346 5NS 0.8711
347 GNM 0.8709
348 3J8 0.8709
349 5NE 0.8709
350 SYV 0.8707
351 7WV 0.8706
352 8W9 0.8706
353 PRF 0.8702
354 KDV 0.8701
355 PX7 0.8700
356 YSO 0.8700
357 FDR 0.8698
358 N2I 0.8698
359 2KA 0.8697
360 K68 0.8696
361 3QV 0.8694
362 JKE 0.8692
363 HPA 0.8692
364 GJP 0.8690
365 MWP 0.8689
366 5OB 0.8685
367 Z5P 0.8685
368 OCH 0.8685
369 ISN 0.8684
370 1SQ 0.8684
371 BP1 0.8681
372 E1K 0.8679
373 03V 0.8679
374 BTE 0.8677
375 4KL 0.8677
376 FBG 0.8676
377 FK1 0.8676
378 BZX 0.8674
379 2HO 0.8669
380 BA5 0.8668
381 ICO 0.8667
382 4XS 0.8666
383 H42 0.8665
384 97T 0.8664
385 ES7 0.8663
386 6NT 0.8662
387 H4N 0.8661
388 28N 0.8660
389 2AQ 0.8660
390 11S 0.8659
391 ANF 0.8658
392 DPT 0.8655
393 6E8 0.8655
394 4XV 0.8653
395 27B 0.8649
396 M1E 0.8649
397 9CA 0.8644
398 OXC 0.8642
399 SWD 0.8642
400 10L 0.8641
401 4FS 0.8639
402 92P 0.8638
403 B0K 0.8637
404 9PY 0.8634
405 537 0.8634
406 1WD 0.8634
407 4B0 0.8633
408 8NY 0.8632
409 AW5 0.8632
410 4RU 0.8631
411 1IT 0.8631
412 1HN 0.8628
413 F12 0.8626
414 XQG 0.8624
415 M2K 0.8624
416 3FH 0.8624
417 5MI 0.8622
418 9TZ 0.8620
419 BPU 0.8612
420 N8Y 0.8612
421 HHR 0.8612
422 SXS 0.8607
423 HKD 0.8600
424 KYA 0.8598
425 75K 0.8598
426 4TU 0.8596
427 K25 0.8595
428 BZJ 0.8595
429 F1A 0.8594
430 3NY 0.8593
431 2D0 0.8592
432 3MA 0.8590
433 TWO 0.8588
434 JAE 0.8582
435 B53 0.8580
436 3GQ 0.8565
437 0HN 0.8564
438 WCE 0.8562
439 ABI 0.8559
440 XM5 0.8556
441 LZ2 0.8546
442 2ZM 0.8543
443 0HO 0.8538
444 5XC 0.8535
445 HLD 0.8529
446 E1T 0.8524
447 QAS 0.8516
448 F9Y 0.8512
449 5VJ 0.8511
Ligand no: 2; Ligand: GSH; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GSN 0.9495
2 MP2 0.9045
3 ALA ALA ALA ALA 0.8738
4 GGL CYW GLY 0.8570
5 DN8 0.8566
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IE3; Ligand: N11; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3ie3.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 6N69 GSH 47.5248
2 6N69 GSH 47.5248
Pocket No.: 2; Query (leader) PDB : 3IE3; Ligand: GSH; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 3ie3.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 6N69 GSH 47.5248
2 6N69 GSH 47.5248
Pocket No.: 3; Query (leader) PDB : 3IE3; Ligand: N11; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 3ie3.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6N69 GSH 47.5248
2 6N69 GSH 47.5248
Pocket No.: 4; Query (leader) PDB : 3IE3; Ligand: GSH; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 3ie3.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6N69 GSH 47.5248
2 6N69 GSH 47.5248
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