Receptor
PDB id Resolution Class Description Source Keywords
1amr 2.1 Å EC: 2.6.1.1 X-RAY CRYSTALLOGRAPHIC STUDY OF PYRIDOXAMINE 5'-PHOSPHATE-TY ASPARTATE AMINOTRANSFERASES FROM ESCHERICHIA COLI IN THREE ESCHERICHIA COLI TRANSFERASE(AMINOTRANSFERASE)
Ref.: X-RAY CRYSTALLOGRAPHIC STUDY OF PYRIDOXAMINE 5'-PHOSPHATE-TYPE ASPARTATE AMINOTRANSFERASES FROM ESCHERICHIA COLI IN THREE FORMS. J.BIOCHEM.(TOKYO) V. 116 1001 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAE A:414;
 Valid;
 none;
 submit data
116.072 C4 H4 O4 C(=C/...
PMP A:413;
 Valid;
 none;
 submit data
248.173 C8 H13 N2 O5 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TOI 1.9 Å EC: 2.6.1.1 HYDROCINNAMIC ACID-BOUND STRUCTURE OF HEXAMUTANT + A293D MUT COLI ASPARTATE AMINOTRANSFERASE ESCHERICHIA COLI ASPARTATE AMINOTRANSFERASE HEXAMUTANT TRANSFERASE
Ref.: NARROWING SUBSTRATE SPECIFICITY IN A DIRECTLY EVOLV ENZYME: THE A293D MUTANT OF ASPARTATE AMINOTRANSFER BIOCHEMISTRY V. 43 12780 2004
Members (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
2 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
3 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
4 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
6 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
7 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
9 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
10 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
11 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
12 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
13 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
14 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
15 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
17 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
18 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
20 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
21 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
22 1AHG - TYR PLP n/a n/a
23 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
24 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
25 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
26 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
28 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
29 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
30 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
31 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
32 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
33 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
34 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
35 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
36 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 1ART - PLP 0A0 n/a n/a
38 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
39 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
40 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
41 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
42 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
43 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
44 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
45 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
46 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
47 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
2 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
3 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
4 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
6 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
7 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
9 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
10 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
11 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
12 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
13 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
14 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
15 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
17 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
18 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
20 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
21 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
22 1AHG - TYR PLP n/a n/a
23 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
24 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
25 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
26 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
28 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
29 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
30 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
31 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
32 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
33 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
34 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
35 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
36 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 1ART - PLP 0A0 n/a n/a
38 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
39 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
40 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
41 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
42 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
43 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
44 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
45 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
46 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
47 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (72)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AY8 Kd = 5.8 mM 4TB C8 H10 O2 S c1cc(sc1)C....
2 2AY4 Kd = 1.24 mM PPT C10 H12 O2 Cc1ccc(cc1....
3 2AY7 Kd = 5 mM CLT C10 H12 O2 c1ccc(cc1)....
4 2AY3 Kd = 0.28 mM MPP C11 H14 O4 COc1ccc(cc....
5 1AY8 - HCI C9 H10 O2 c1ccc(cc1)....
6 1AY5 - MAE C4 H4 O4 C(=C/C(=O)....
7 2AY9 Kd = 6.9 mM 5PV C11 H14 O2 c1ccc(cc1)....
8 2AY6 Kd = 0.78 mM 3IB C12 H13 N O2 c1ccc2c(c1....
9 2AY2 Kd = 13.1 mM CXP C9 H16 O2 C1CCC(CC1)....
10 2AY5 Kd = 2.6 mM IOP C11 H11 N O2 c1ccc2c(c1....
11 2AY1 Kd = 5.14 mM AHC C9 H11 N O2 c1cc(ccc1C....
12 1X2A - PDG C13 H19 N2 O9 P Cc1c(c(c(c....
13 1CZE Kd = 2.4 mM SIN C4 H6 O4 C(CC(=O)O)....
14 1AHX Kd = 120 uM HCI C9 H10 O2 c1ccc(cc1)....
15 3PAA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
16 3QPG - 3QP C13 H16 N O9 P Cc1ccc(c(c....
17 1QIT - MAE C4 H4 O4 C(=C/C(=O)....
18 2QBT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
19 1TOI Kd = 0.09 mM HCI C9 H10 O2 c1ccc(cc1)....
20 1ASC - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
21 1ASA - MAE C4 H4 O4 C(=C/C(=O)....
22 1ARH - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
23 1CZC Kd = 1.5 mM GUA C5 H8 O4 C(CC(=O)O)....
24 1X29 - PMG C14 H21 N2 O9 P Cc1c(c(c(c....
25 1QIS - MAE C4 H4 O4 C(=C/C(=O)....
26 1AMQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
27 4A00 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
28 1IX7 - MAE C4 H4 O4 C(=C/C(=O)....
29 1AMR - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
30 1TOK Kd = 3.4 mM MAE C4 H4 O4 C(=C/C(=O)....
31 1ASM - MAE C4 H4 O4 C(=C/C(=O)....
32 5VWQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
33 1AHG - TYR PLP n/a n/a
34 5VWR - PL6 C13 H17 N2 O9 P Cc1c(c(c(c....
35 1AHF - IOP C11 H11 N O2 c1ccc2c(c1....
36 2QB2 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
37 3ZZK - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
38 3PA9 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
39 1B4X - MAE C4 H4 O4 C(=C/C(=O)....
40 1X28 - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
41 1YOO - IVA C5 H10 O2 CC(C)CC(=O....
42 1TOJ Kd = 0.41 mM HCI C9 H10 O2 c1ccc(cc1)....
43 1SPA - NPL C9 H16 N2 O5 P Cc1c(c(c(c....
44 2Q7W - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
45 1TOG Kd = 0.6 mM HCI C9 H10 O2 c1ccc(cc1)....
46 4DBC - 3QP C13 H16 N O9 P Cc1ccc(c(c....
47 1AIA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
48 1ART - PLP 0A0 n/a n/a
49 1CQ7 - PY5 C13 H21 N2 O7 P CCC[C@@H](....
50 1ASD - MAE C4 H4 O4 C(=C/C(=O)....
51 1C9C - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
52 1CQ8 - PY6 C14 H23 N2 O7 P CCCC[C@@H]....
53 2QA3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
54 1QIR - MAE C4 H4 O4 C(=C/C(=O)....
55 1ARG - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
56 1AIC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
57 1AHY Kd = 440 uM MAE C4 H4 O4 C(=C/C(=O)....
58 2QB3 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
59 1MAP - KET C12 H16 N2 O9 P Cc1c(c(c(c....
60 1AKC - PPE C13 H20 N2 O9 P Cc1c(c(c(c....
61 1AMA - PLA C13 H19 N2 O9 P Cc1c(c(c(c....
62 1AKB - PPD C12 H17 N2 O9 P Cc1c(c(c(c....
63 1IVR - CBA C12 H17 N2 O11 P Cc1c(c(c(c....
64 1AKA - PLP C8 H10 N O6 P Cc1c(c(c(c....
65 1MAQ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
66 9AAT - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
67 1OXP - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
68 1OXO - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
69 4RKC - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70 2CST - MAE C4 H4 O4 C(=C/C(=O)....
71 1YAA - MAE C4 H4 O4 C(=C/C(=O)....
72 6DND - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAE; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MAE 1 1
2 FUM 1 1
3 CCU 0.5625 1
4 GLV 0.5 0.666667
Ligand no: 2; Ligand: PMP; Similar ligands found: 89
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 IN5 0.57377 0.912281
5 PLG 0.57377 0.866667
6 P1T 0.571429 0.825397
7 CKT 0.5625 0.85
8 PLR 0.557692 0.781818
9 2BK 0.553846 0.881356
10 TLP 0.553846 0.881356
11 2BO 0.553846 0.881356
12 PDD 0.546875 0.881356
13 PP3 0.546875 0.881356
14 PDA 0.546875 0.881356
15 ILP 0.544118 0.852459
16 33P 0.538462 0.896552
17 IK2 0.538462 0.825397
18 OJQ 0.537313 0.746479
19 PLS 0.530303 0.866667
20 5PA 0.530303 0.825397
21 PMH 0.530303 0.742857
22 PLP 0.527273 0.767857
23 PPD 0.522388 0.866667
24 C6P 0.522388 0.866667
25 ORX 0.521127 0.854839
26 PXM 0.52 0.735849
27 PZP 0.517857 0.836364
28 PLA 0.514706 0.8125
29 PY5 0.514706 0.8125
30 PL2 0.514286 0.84127
31 QLP 0.514286 0.815385
32 PE1 0.513889 0.854839
33 PPG 0.513514 0.825397
34 P0P 0.508772 0.8
35 HEY 0.507042 0.8125
36 7TS 0.5 0.702703
37 CBA 0.5 0.83871
38 7XF 0.5 0.83871
39 PLP PMP 0.5 0.944444
40 EA5 0.5 0.828125
41 PDG 0.5 0.83871
42 PGU 0.5 0.83871
43 3LM 0.5 0.787879
44 9YM 0.493151 0.868852
45 LCS 0.492958 0.675676
46 LPI 0.492958 0.776119
47 DCS 0.492958 0.712329
48 PMG 0.492958 0.787879
49 PY6 0.486111 0.787879
50 76U 0.486111 0.825397
51 PL4 0.48 0.854839
52 PSZ 0.479452 0.8
53 N5F 0.479452 0.825397
54 4LM 0.462687 0.725806
55 0JO 0.462687 0.714286
56 AN7 0.461538 0.741379
57 RW2 0.460526 0.8
58 0PR 0.460526 0.852459
59 PXG 0.460526 0.866667
60 FOO 0.454545 0.75
61 PL8 0.454545 0.732394
62 NPL 0.45 0.898305
63 FEV 0.449275 0.714286
64 RMT 0.448718 0.765625
65 KAM 0.448718 0.825397
66 1D0 0.444444 0.8
67 2B1 0.443038 0.690141
68 DN9 0.443038 0.742857
69 7B9 0.443038 0.764706
70 EVM 0.442857 0.786885
71 P3D 0.442857 0.85
72 EPC 0.439394 0.789474
73 MP5 0.438596 0.728814
74 PLP CYS 0.43662 0.836066
75 PLP SER 0.434783 0.864407
76 EXT 0.432836 0.79661
77 AQ3 0.426829 0.8125
78 2B6 0.426829 0.662162
79 F0G 0.414286 0.762712
80 MPM 0.414286 0.75
81 PLP 2TL 0.410959 0.85
82 KOU 0.408451 0.8
83 SEP PLP 0.405405 0.85
84 PLP BH2 0.405405 0.85
85 PLP 0A0 0.405405 0.796875
86 HCP 0.402778 0.741935
87 Z98 0.4 0.777778
88 LEU PLP 0.4 0.822581
89 PFM 0.4 0.770492
Similar Ligands (3D)
Ligand no: 1; Ligand: MAE; Similar ligands found: 826
No: Ligand Similarity coefficient
1 HX2 1.0000
2 PAC 1.0000
3 SIN 1.0000
4 4MV 0.9952
5 H95 0.9909
6 SHF 0.9895
7 NMG 0.9861
8 OKG 0.9721
9 MLI 0.9706
10 KIV 0.9693
11 4JU 0.9669
12 AKB 0.9665
13 OK7 0.9660
14 URP 0.9654
15 MLA 0.9638
16 ASP 0.9637
17 MLT 0.9635
18 ALO 0.9622
19 MAK 0.9615
20 CIZ 0.9612
21 PRO 0.9608
22 ASN 0.9605
23 VAL 0.9600
24 LMR 0.9597
25 GUA 0.9596
26 CP 0.9594
27 OAA 0.9594
28 SSN 0.9594
29 2MH 0.9585
30 THR 0.9580
31 DAS 0.9577
32 TEO 0.9572
33 HSE 0.9571
34 VKC 0.9567
35 MRY 0.9560
36 ITN 0.9552
37 PAE 0.9552
38 LEA 0.9548
39 ABU 0.9546
40 CRN 0.9538
41 IVA 0.9526
42 69O 0.9518
43 49F 0.9499
44 PLQ 0.9492
45 LEU 0.9489
46 ILE 0.9488
47 CMS 0.9488
48 3PY 0.9486
49 P2D 0.9476
50 0VT 0.9476
51 1KA 0.9476
52 9X7 0.9474
53 3HR 0.9470
54 AMC 0.9468
55 DMG 0.9459
56 9YL 0.9458
57 6NA 0.9457
58 DSN 0.9454
59 X1S 0.9450
60 2RH 0.9449
61 HTX 0.9447
62 XYL 0.9446
63 RB5 0.9446
64 RB0 0.9446
65 JYD 0.9442
66 NXA 0.9442
67 PGA 0.9441
68 TFB 0.9441
69 C21 0.9439
70 PG3 0.9437
71 AAE 0.9436
72 DBB 0.9435
73 PYC 0.9433
74 MLM 0.9431
75 1DU 0.9430
76 265 0.9421
77 40E 0.9419
78 HBA 0.9419
79 HDA 0.9419
80 98J 0.9416
81 IOM 0.9416
82 UGC 0.9415
83 IHG 0.9414
84 FLA 0.9412
85 ROR 0.9409
86 2KT 0.9403
87 TLA 0.9402
88 2RA 0.9401
89 SER 0.9399
90 BML 0.9397
91 FOA 0.9397
92 JZ5 0.9395
93 FBA 0.9391
94 IPU 0.9391
95 3PP 0.9390
96 EHM 0.9389
97 SPA 0.9389
98 2PC 0.9387
99 HCS 0.9385
100 DXX 0.9383
101 192 0.9383
102 HZP 0.9380
103 1DQ 0.9373
104 9X6 0.9370
105 TB6 0.9369
106 COI 0.9369
107 HQE 0.9368
108 FPN 0.9361
109 YCP 0.9360
110 CHT 0.9358
111 THE 0.9357
112 BEN 0.9355
113 DPR 0.9354
114 273 0.9354
115 4VP 0.9353
116 FBJ 0.9352
117 NIO 0.9347
118 G3P 0.9346
119 ACH 0.9346
120 PHB 0.9343
121 T2C 0.9341
122 GG6 0.9340
123 DAB 0.9338
124 BEZ 0.9337
125 IDM 0.9333
126 PCR 0.9333
127 GLL 0.9332
128 6PC 0.9330
129 DEN 0.9329
130 JZ7 0.9327
131 BP9 0.9327
132 PXY 0.9321
133 A3B 0.9320
134 J1Z 0.9317
135 TAR 0.9315
136 DYA 0.9315
137 UYA 0.9313
138 JBN 0.9312
139 CYS 0.9312
140 FQI 0.9311
141 3HL 0.9311
142 1PT 0.9310
143 TZC 0.9309
144 54D 0.9308
145 KG7 0.9307
146 ODV 0.9307
147 DE2 0.9305
148 C2N 0.9304
149 S0H 0.9303
150 A8C 0.9300
151 VAH 0.9299
152 DGY 0.9299
153 03W 0.9299
154 QDK 0.9298
155 NCA 0.9295
156 5AC 0.9294
157 BAM 0.9294
158 NVA 0.9293
159 ABV 0.9293
160 DA1 0.9289
161 NPO 0.9289
162 MUC 0.9288
163 PZA 0.9288
164 JZ9 0.9287
165 BAE 0.9287
166 FW5 0.9284
167 SS2 0.9283
168 NTN 0.9283
169 IND 0.9279
170 C5J 0.9279
171 M6W 0.9277
172 QSC 0.9277
173 PEP 0.9276
174 LG4 0.9276
175 AL0 0.9275
176 SRT 0.9275
177 GLY GLY 0.9274
178 SMV 0.9274
179 HIU 0.9273
180 HSM 0.9273
181 UNU 0.9273
182 FPI 0.9271
183 PBC 0.9270
184 MPD 0.9270
185 BZI 0.9269
186 PCA 0.9262
187 NBZ 0.9262
188 60P 0.9261
189 LZ1 0.9259
190 PRS 0.9259
191 TIU 0.9257
192 MEQ 0.9255
193 LER 0.9254
194 23W 0.9252
195 PUT 0.9252
196 VGL 0.9247
197 XM0 0.9247
198 TP5 0.9246
199 MPI 0.9246
200 XRG 0.9245
201 ABN 0.9244
202 4JL 0.9244
203 ABA 0.9243
204 AC5 0.9243
205 0R1 0.9242
206 PPR 0.9241
207 HUI 0.9240
208 HIO 0.9239
209 25R 0.9239
210 HYP 0.9238
211 AX7 0.9238
212 SMB 0.9237
213 XBT 0.9235
214 SS1 0.9235
215 ZBT 0.9235
216 TZL 0.9235
217 6JN 0.9234
218 4CH 0.9233
219 BZF 0.9233
220 RSO 0.9232
221 SD4 0.9232
222 UY7 0.9230
223 14O 0.9230
224 4JP 0.9227
225 BNS 0.9227
226 AC0 0.9227
227 SPV 0.9227
228 3SL 0.9226
229 GVH 0.9226
230 GLU 0.9225
231 5FX 0.9224
232 5H1 0.9222
233 AC6 0.9221
234 XUL 0.9221
235 RBL 0.9218
236 3S5 0.9218
237 C2B 0.9217
238 APY 0.9217
239 HY1 0.9216
240 270 0.9215
241 7VD 0.9214
242 DTL 0.9214
243 2MI 0.9214
244 F60 0.9213
245 BE7 0.9212
246 1AC 0.9212
247 AHB 0.9209
248 SYN 0.9206
249 13P 0.9204
250 2K4 0.9202
251 JAE 0.9202
252 BTL 0.9202
253 HYA 0.9200
254 7A8 0.9197
255 4HA 0.9195
256 PAB 0.9195
257 FJO 0.9195
258 2HE 0.9193
259 BZX 0.9186
260 XAP 0.9186
261 PCT 0.9185
262 POA 0.9185
263 0CT 0.9184
264 KPL 0.9182
265 PZI 0.9182
266 PGH 0.9179
267 PE9 0.9179
268 HY3 0.9179
269 HBX 0.9178
270 SAT 0.9177
271 4HS 0.9176
272 5MI 0.9175
273 A20 0.9175
274 IQ0 0.9174
275 PPV 0.9170
276 XPO 0.9170
277 PAH 0.9168
278 O7U 0.9167
279 R9M 0.9164
280 WTZ 0.9163
281 1SP 0.9163
282 FSG 0.9163
283 6AI 0.9163
284 1GP 0.9162
285 9TY 0.9161
286 1Y6 0.9160
287 TH7 0.9158
288 IZC 0.9157
289 HPY 0.9157
290 PAF 0.9156
291 PZM 0.9154
292 PHU 0.9154
293 PBZ 0.9153
294 MRZ 0.9151
295 PY7 0.9148
296 0V5 0.9147
297 PYF 0.9147
298 P92 0.9147
299 DCY 0.9146
300 DTU 0.9145
301 1MR 0.9145
302 FPY 0.9145
303 P72 0.9145
304 HE2 0.9144
305 HSO 0.9143
306 826 0.9142
307 HBD 0.9142
308 5MB 0.9142
309 K34 0.9140
310 XYP 0.9140
311 GBD 0.9139
312 NIZ 0.9138
313 QY9 0.9136
314 2CK 0.9136
315 39J 0.9135
316 23B 0.9134
317 282 0.9134
318 ORN 0.9131
319 1SH 0.9130
320 DMV 0.9130
321 QFH 0.9129
322 SKG 0.9129
323 ETX 0.9128
324 MZW 0.9128
325 OPE 0.9127
326 OXQ 0.9127
327 JKE 0.9123
328 4JN 0.9123
329 7N0 0.9123
330 G3H 0.9122
331 JAB 0.9121
332 DGL 0.9120
333 PRI 0.9118
334 SAL 0.9118
335 ICF 0.9115
336 4MA 0.9115
337 TAU 0.9114
338 H8N 0.9114
339 11S 0.9113
340 14J 0.9112
341 HV2 0.9112
342 EDG 0.9111
343 Z82 0.9111
344 ISZ 0.9111
345 NBE 0.9110
346 SW7 0.9110
347 25T 0.9110
348 BHO 0.9109
349 NLE 0.9109
350 NBN 0.9109
351 BUB 0.9109
352 7WG 0.9107
353 GZ3 0.9105
354 M58 0.9105
355 CEJ 0.9105
356 FCN 0.9104
357 XLS 0.9104
358 1MC 0.9102
359 DUC 0.9101
360 GAG 0.9100
361 2CO 0.9099
362 4XR 0.9098
363 ITU 0.9097
364 1AB 0.9097
365 ETM 0.9095
366 CYH 0.9093
367 I2M 0.9092
368 4JM 0.9091
369 CXL 0.9087
370 QUZ 0.9087
371 URQ 0.9086
372 AKG 0.9086
373 IT2 0.9084
374 DE5 0.9084
375 FAN 0.9082
376 2IM 0.9081
377 BAL 0.9081
378 3U4 0.9081
379 URF 0.9080
380 TH0 0.9079
381 KOJ 0.9079
382 9CL 0.9077
383 NPY 0.9075
384 ES9 0.9075
385 H4N 0.9074
386 M4T 0.9074
387 B24 0.9073
388 HMU 0.9072
389 IXW 0.9070
390 BUA 0.9069
391 MCT 0.9067
392 LDU 0.9066
393 BE2 0.9066
394 HMH 0.9066
395 2YU 0.9066
396 MZ0 0.9065
397 ES6 0.9064
398 TM7 0.9063
399 NK 0.9061
400 ECE 0.9060
401 IPH 0.9060
402 174 0.9059
403 R2B 0.9059
404 AG2 0.9058
405 FK1 0.9056
406 1DH 0.9056
407 4SV 0.9055
408 PG0 0.9054
409 R67 0.9054
410 FEH 0.9053
411 CFI 0.9051
412 ISU 0.9050
413 HT4 0.9050
414 8NY 0.9049
415 FYU 0.9049
416 PEQ 0.9049
417 PMB 0.9048
418 GLY ALA 0.9048
419 275 0.9047
420 717 0.9047
421 8EZ 0.9046
422 CYX 0.9045
423 POP 0.9040
424 HAI 0.9040
425 4HO 0.9039
426 TDR 0.9036
427 FBM 0.9035
428 173 0.9034
429 BXO 0.9034
430 FB2 0.9033
431 1DV 0.9032
432 V1L 0.9032
433 LNO 0.9030
434 RSF 0.9030
435 IOL 0.9029
436 F9P 0.9029
437 R1X 0.9029
438 BUQ 0.9027
439 MWM 0.9026
440 284 0.9026
441 LXC 0.9024
442 GLN 0.9023
443 2HG 0.9022
444 AHR 0.9022
445 8EW 0.9021
446 COM 0.9021
447 CXF 0.9020
448 PYJ 0.9019
449 HYN 0.9016
450 GGL 0.9016
451 WBU 0.9014
452 EFS 0.9013
453 XBZ 0.9011
454 4ZE 0.9009
455 BVC 0.9009
456 6M4 0.9007
457 34A 0.9007
458 GOL 0.9006
459 2MP 0.9003
460 2AS 0.9002
461 IMR 0.9001
462 P7I 0.9000
463 NVI 0.8999
464 L3Q 0.8999
465 5NU 0.8998
466 A2Q 0.8997
467 280 0.8996
468 SNE 0.8994
469 2AC 0.8991
470 8X3 0.8990
471 XYD 0.8990
472 BMD 0.8988
473 URA 0.8987
474 TPA 0.8987
475 9J3 0.8987
476 4CS 0.8986
477 5JC 0.8984
478 VNJ 0.8983
479 3SK 0.8982
480 ONL 0.8981
481 MET 0.8979
482 CSS 0.8978
483 BHH 0.8978
484 GPF 0.8977
485 NF3 0.8977
486 RCO 0.8977
487 PYD 0.8976
488 ACA 0.8975
489 3V4 0.8973
490 ET2 0.8973
491 1SA 0.8972
492 QOS 0.8972
493 5UC 0.8971
494 DCL 0.8970
495 HIS 0.8969
496 4JT 0.8969
497 BU4 0.8968
498 ICC 0.8966
499 IFM 0.8964
500 BVG 0.8964
501 34V 0.8963
502 F05 0.8963
503 3NT 0.8963
504 1DJ 0.8962
505 6M9 0.8962
506 VX 0.8962
507 PPF 0.8960
508 SGL 0.8959
509 24T 0.8959
510 SAR 0.8958
511 RUU 0.8958
512 43M 0.8957
513 5CU 0.8957
514 5MH 0.8954
515 K6H 0.8953
516 JZ3 0.8953
517 3OC 0.8951
518 24B 0.8949
519 OHG 0.8948
520 PIS 0.8943
521 M45 0.8943
522 CRS 0.8941
523 3HB 0.8941
524 1WD 0.8941
525 3ZQ 0.8940
526 2HA 0.8938
527 MZG 0.8938
528 GXE 0.8937
529 9EW 0.8937
530 RNS 0.8937
531 LLQ 0.8937
532 0RW 0.8936
533 DS0 0.8935
534 DOB 0.8934
535 ZZT 0.8934
536 36R 0.8934
537 M1A 0.8933
538 3OH 0.8931
539 ICP 0.8930
540 OXZ 0.8928
541 4SD 0.8928
542 7WV 0.8927
543 7EX 0.8926
544 HLR 0.8926
545 OGA 0.8925
546 4CL 0.8924
547 GAB 0.8923
548 VGD 0.8922
549 4NC 0.8922
550 AOA 0.8922
551 HGQ 0.8920
552 NOY 0.8919
553 2EZ 0.8917
554 CLW 0.8917
555 5WV 0.8916
556 FBB 0.8916
557 4JJ 0.8916
558 ADE 0.8915
559 MBN 0.8914
560 8GC 0.8914
561 271 0.8914
562 TZE 0.8914
563 HVQ 0.8914
564 A1U 0.8913
565 5HN 0.8913
566 XX2 0.8913
567 3AP 0.8913
568 K2T 0.8911
569 RMN 0.8907
570 4M0 0.8906
571 5VM 0.8905
572 2PN 0.8904
573 JZ2 0.8904
574 67N 0.8902
575 IP0 0.8901
576 9PO 0.8901
577 Y8I 0.8900
578 FA0 0.8899
579 XIX 0.8897
580 2AP 0.8897
581 HRZ 0.8897
582 TFS 0.8896
583 3CH 0.8896
584 8H8 0.8896
585 BZ3 0.8893
586 4AP 0.8893
587 MTG 0.8892
588 3ID 0.8892
589 FUL 0.8891
590 MED 0.8890
591 PEL 0.8889
592 WOT 0.8889
593 ES7 0.8888
594 03V 0.8888
595 PKU 0.8887
596 I1E 0.8887
597 COU 0.8886
598 MSE 0.8885
599 KMT 0.8884
600 6HQ 0.8884
601 5OB 0.8883
602 TLD 0.8882
603 EGD 0.8881
604 SVN 0.8878
605 KKN 0.8877
606 H42 0.8877
607 2AQ 0.8877
608 MDN 0.8877
609 MEU 0.8877
610 GJZ 0.8876
611 1P8 0.8876
612 L60 0.8875
613 LG3 0.8875
614 IFL 0.8875
615 CYT 0.8875
616 ISN 0.8874
617 51F 0.8874
618 ES2 0.8872
619 HVK 0.8872
620 DTT 0.8871
621 TNE 0.8870
622 93B 0.8869
623 PTO 0.8869
624 3AB 0.8868
625 PEA 0.8867
626 MNN 0.8867
627 AT3 0.8866
628 0TR 0.8864
629 BHA 0.8864
630 RHU 0.8863
631 NOJ 0.8863
632 IDH 0.8862
633 FCR 0.8861
634 DMD 0.8861
635 JB5 0.8858
636 MXN 0.8856
637 40O 0.8856
638 RP7 0.8855
639 4JO 0.8854
640 SC2 0.8852
641 HX3 0.8850
642 IUR 0.8850
643 SME 0.8849
644 53C 0.8849
645 AAS 0.8848
646 ES5 0.8848
647 3GR 0.8847
648 BVF 0.8844
649 OVV 0.8843
650 OCH 0.8843
651 RIP 0.8843
652 DHB 0.8842
653 OEM 0.8841
654 MWJ 0.8838
655 4FA 0.8838
656 1P3 0.8836
657 4FS 0.8836
658 26D 0.8836
659 NSP 0.8835
660 LGA 0.8825
661 7W4 0.8822
662 HDH 0.8822
663 BR9 0.8821
664 8K2 0.8818
665 PBA 0.8814
666 LG5 0.8813
667 27Y 0.8813
668 TMZ 0.8813
669 URS 0.8811
670 E60 0.8810
671 DPF 0.8809
672 3BZ 0.8807
673 9SB 0.8806
674 ARB 0.8806
675 P9P 0.8805
676 XQ0 0.8805
677 MYJ 0.8803
678 4P5 0.8801
679 10L 0.8799
680 278 0.8798
681 WCE 0.8797
682 FBV 0.8796
683 SMN 0.8790
684 DFU 0.8790
685 INO 0.8790
686 2TQ 0.8789
687 NNO 0.8788
688 OSE 0.8787
689 8CL 0.8787
690 3BB 0.8786
691 4XX 0.8785
692 QSB 0.8783
693 9TW 0.8783
694 8GF 0.8781
695 3PG 0.8780
696 0MK 0.8779
697 TSU 0.8777
698 XYS 0.8777
699 286 0.8776
700 YRL 0.8775
701 MR1 0.8775
702 MMU 0.8772
703 3YP 0.8767
704 E5X 0.8767
705 CHB 0.8766
706 MYQ 0.8765
707 FUC 0.8765
708 JZ1 0.8765
709 2HO 0.8764
710 GLC 0.8762
711 4A3 0.8761
712 SYG 0.8760
713 JLZ 0.8757
714 6MP 0.8754
715 FHB 0.8752
716 TTO 0.8751
717 RBJ 0.8749
718 CAQ 0.8748
719 RIB 0.8748
720 XIY 0.8747
721 PM6 0.8747
722 HHN 0.8747
723 93K 0.8745
724 CEE 0.8742
725 2BG 0.8739
726 JBE 0.8739
727 PBE 0.8737
728 ARA 0.8737
729 1LQ 0.8736
730 H3M 0.8732
731 8OZ 0.8728
732 B3R 0.8727
733 HPA 0.8727
734 PNZ 0.8727
735 AEF 0.8727
736 TIH 0.8726
737 ES4 0.8726
738 3Q7 0.8723
739 SKJ 0.8723
740 IHB 0.8722
741 1DW 0.8722
742 0R0 0.8721
743 449 0.8720
744 MTD 0.8720
745 PAV 0.8719
746 7WA 0.8719
747 TMT 0.8717
748 SAN 0.8716
749 3HM 0.8716
750 7CZ 0.8712
751 SEP 0.8712
752 DHR 0.8711
753 23A 0.8708
754 HH5 0.8707
755 GOJ 0.8704
756 BRT 0.8702
757 AZF 0.8702
758 1M2 0.8701
759 7HP 0.8701
760 BP1 0.8699
761 MLE 0.8698
762 1AN 0.8697
763 4H2 0.8697
764 SVJ 0.8695
765 SEJ 0.8695
766 NMJ 0.8694
767 A09 0.8693
768 24W 0.8691
769 QWN 0.8689
770 BPN 0.8689
771 YHO 0.8687
772 FUB 0.8685
773 PYG 0.8685
774 ES0 0.8682
775 GXV 0.8682
776 0OC 0.8679
777 Q88 0.8678
778 FMS 0.8677
779 CIG 0.8676
780 ICN 0.8676
781 SYV 0.8676
782 CWM 0.8676
783 285 0.8673
784 1LN 0.8672
785 1SQ 0.8670
786 64K 0.8667
787 HEW 0.8664
788 M3T 0.8661
789 4NM 0.8660
790 DQY 0.8659
791 Z6J 0.8658
792 SWD 0.8657
793 DFB 0.8656
794 J9T 0.8653
795 FP2 0.8653
796 4XH 0.8651
797 FAC 0.8647
798 4BZ 0.8643
799 OXL 0.8635
800 1CB 0.8634
801 FBS 0.8633
802 TAY 0.8632
803 C2A 0.8632
804 ABE 0.8630
805 TMH 0.8630
806 OXE 0.8630
807 5HY 0.8629
808 7MU 0.8626
809 HHQ 0.8622
810 ANN 0.8617
811 51R 0.8616
812 5RG 0.8612
813 92Z 0.8611
814 GTQ 0.8609
815 FB1 0.8609
816 DMJ 0.8582
817 D2P 0.8578
818 4J8 0.8578
819 3MC 0.8572
820 BEW 0.8572
821 ATQ 0.8571
822 3XX 0.8561
823 H76 0.8549
824 2AF 0.8549
825 FLM 0.8537
826 2XX 0.8534
Ligand no: 2; Ligand: PMP; Similar ligands found: 792
No: Ligand Similarity coefficient
1 ADN 1.0000
2 X04 0.9756
3 G6P 0.9676
4 BG6 0.9520
5 4R1 0.9517
6 GLP 0.9504
7 M6P 0.9462
8 N2M 0.9422
9 1QV 0.9397
10 L21 0.9393
11 5WN 0.9388
12 ZEC 0.9388
13 3LJ 0.9385
14 68A 0.9333
15 6HP 0.9327
16 5TY 0.9326
17 A6P 0.9296
18 5OO 0.9265
19 QIF 0.9263
20 STT 0.9257
21 BGP 0.9231
22 F5C 0.9221
23 CFA 0.9219
24 F1P 0.9215
25 GXG 0.9202
26 EUE 0.9195
27 ZIP 0.9194
28 A5P 0.9192
29 2VQ 0.9185
30 F1X 0.9183
31 D6G 0.9177
32 NQH 0.9168
33 FT6 0.9166
34 YF3 0.9165
35 SYE 0.9160
36 HSX 0.9158
37 SG2 0.9151
38 QMS 0.9148
39 SBK 0.9147
40 4OG 0.9146
41 NAG 0.9146
42 RGG 0.9139
43 LOT 0.9138
44 96Z 0.9138
45 NBV 0.9138
46 GI4 0.9137
47 QUB 0.9135
48 ARP 0.9134
49 GI1 0.9131
50 H4B 0.9131
51 M6D 0.9129
52 ABF 0.9128
53 1VQ 0.9128
54 27B 0.9127
55 GI3 0.9127
56 657 0.9124
57 APS 0.9123
58 MQG 0.9121
59 M3Q 0.9121
60 O2Y 0.9120
61 GJP 0.9120
62 V1T 0.9119
63 EVF 0.9118
64 TRP 0.9112
65 EXL 0.9112
66 P2L 0.9110
67 F52 0.9107
68 2GQ 0.9105
69 SKF 0.9105
70 F6P 0.9102
71 IPD 0.9101
72 CGW 0.9101
73 CTE 0.9100
74 I4D 0.9098
75 GZV 0.9096
76 GB4 0.9095
77 MBP 0.9095
78 IOS 0.9095
79 FUZ 0.9093
80 4KR 0.9091
81 2K8 0.9091
82 FER 0.9087
83 HBI 0.9083
84 ENG 0.9081
85 3Y7 0.9078
86 H2B 0.9078
87 S0E 0.9072
88 3M8 0.9072
89 P9E 0.9068
90 4AB 0.9066
91 LTN 0.9066
92 9F8 0.9065
93 IOP 0.9064
94 SG6 0.9064
95 DY5 0.9061
96 NOK 0.9061
97 1HN 0.9059
98 3VX 0.9058
99 TU0 0.9056
100 X0T 0.9054
101 CMU 0.9053
102 FWD 0.9053
103 HA6 0.9050
104 2HC 0.9050
105 6QF 0.9050
106 CPW 0.9049
107 ZON 0.9048
108 NIY 0.9047
109 ZHA 0.9046
110 S7G 0.9045
111 57O 0.9045
112 ANC 0.9043
113 3R4 0.9043
114 GDL 0.9042
115 NFM 0.9038
116 IL5 0.9035
117 4RU 0.9035
118 MPP 0.9035
119 GNM 0.9035
120 9E3 0.9033
121 PVQ 0.9033
122 790 0.9033
123 8MP 0.9031
124 BY5 0.9030
125 1BW 0.9029
126 HHS 0.9028
127 5GT 0.9027
128 MD6 0.9026
129 HWD 0.9024
130 E9S 0.9024
131 PVK 0.9023
132 N91 0.9022
133 KYN 0.9018
134 51Y 0.9017
135 THA 0.9017
136 AKD 0.9017
137 0FR 0.9016
138 52F 0.9015
139 BIO 0.9014
140 HBO 0.9011
141 DHC 0.9011
142 T6Z 0.9009
143 D1Y 0.9007
144 3IL 0.9006
145 3JM 0.9005
146 AC2 0.9005
147 KLV 0.9004
148 F06 0.9004
149 AJD 0.9004
150 AMR 0.9004
151 DTE 0.9003
152 NTF 0.9003
153 MFZ 0.9002
154 MAJ 0.9000
155 B61 0.9000
156 0J4 0.8995
157 GC2 0.8995
158 9BF 0.8993
159 KMY 0.8992
160 0J5 0.8991
161 XIF XYP 0.8990
162 XYP XIF 0.8990
163 TA6 0.8989
164 6FB 0.8987
165 CHQ 0.8986
166 P9T 0.8985
167 EV2 0.8984
168 6Q3 0.8983
169 NPA 0.8983
170 5WM 0.8983
171 RVE 0.8982
172 GA2 0.8980
173 I59 0.8978
174 61M 0.8977
175 YO5 0.8976
176 TOM 0.8976
177 I2E 0.8975
178 CX4 0.8971
179 15N 0.8971
180 LIP 0.8970
181 TB8 0.8970
182 M5H 0.8969
183 7AP 0.8969
184 STV 0.8969
185 NAL 0.8967
186 363 0.8966
187 ONZ 0.8966
188 505 0.8965
189 ANF 0.8965
190 P7Y 0.8964
191 6KT 0.8964
192 3J8 0.8962
193 XCG 0.8957
194 Q5M 0.8957
195 IAC 0.8957
196 BHS 0.8956
197 XFE 0.8955
198 4WF 0.8954
199 ALX 0.8952
200 EUH 0.8952
201 BNX 0.8952
202 ITW 0.8950
203 SLS 0.8950
204 3B4 0.8948
205 S0G 0.8945
206 2JK 0.8944
207 ST2 0.8944
208 MUX 0.8943
209 4Z9 0.8942
210 CLU 0.8942
211 2CZ 0.8942
212 AA 0.8941
213 YX1 0.8940
214 STZ 0.8940
215 TSR 0.8939
216 ZEZ 0.8939
217 JYT 0.8938
218 A7H 0.8937
219 TNX 0.8936
220 TMG 0.8936
221 OUB 0.8936
222 ESX 0.8935
223 CWD 0.8935
224 GFP 0.8935
225 UQ1 0.8935
226 4I8 0.8934
227 X0U 0.8934
228 NFK 0.8933
229 2JX 0.8931
230 7SX 0.8930
231 DNA 0.8930
232 JBZ 0.8930
233 N1E 0.8930
234 89J 0.8930
235 A5Q 0.8928
236 3D8 0.8928
237 3RI 0.8928
238 AN3 0.8927
239 2O6 0.8925
240 K25 0.8925
241 GO8 0.8924
242 9ZE 0.8922
243 OSB 0.8921
244 0OK 0.8919
245 ZSP 0.8919
246 BQ2 0.8918
247 6J5 0.8918
248 EYV 0.8914
249 E1T 0.8914
250 DTR 0.8914
251 BWD 0.8913
252 X1P 0.8913
253 7PJ 0.8912
254 B41 0.8910
255 A4V 0.8910
256 YKG 0.8909
257 TZP 0.8908
258 NPS 0.8906
259 N0Z 0.8906
260 OQC 0.8906
261 JP2 0.8905
262 22T 0.8904
263 H35 0.8904
264 F40 0.8903
265 KG1 0.8901
266 JY2 0.8901
267 RSV 0.8900
268 KTW 0.8900
269 EXD 0.8899
270 WV7 0.8898
271 S8A 0.8897
272 5WS 0.8895
273 3IB 0.8895
274 QIV 0.8893
275 JXK 0.8893
276 Z25 0.8891
277 ALN 0.8890
278 D9Z 0.8889
279 GO2 0.8889
280 NEU 0.8887
281 878 0.8887
282 PE2 0.8886
283 0FK 0.8886
284 4CM 0.8886
285 M9N 0.8885
286 EXR 0.8885
287 54E 0.8884
288 NHT 0.8884
289 12T 0.8882
290 HPT 0.8881
291 PMM 0.8881
292 F34 0.8880
293 G1P 0.8880
294 4GP 0.8880
295 KF5 0.8880
296 K3Q 0.8879
297 5V7 0.8878
298 M02 0.8878
299 NDG 0.8877
300 327 0.8877
301 8D6 0.8876
302 MTS 0.8876
303 0JD 0.8875
304 54X 0.8873
305 ESP 0.8872
306 KP2 0.8870
307 4Z1 0.8868
308 3SU 0.8868
309 X48 0.8868
310 B56 0.8865
311 SJK 0.8864
312 MUR 0.8863
313 344 0.8862
314 FQX 0.8862
315 ESI 0.8861
316 FF2 0.8861
317 GJK 0.8861
318 KYA 0.8861
319 FPL 0.8860
320 PTS 0.8859
321 6ZX 0.8858
322 HNT 0.8857
323 8HC 0.8857
324 PW1 0.8857
325 IBC 0.8855
326 H5B 0.8855
327 CC5 0.8853
328 CG8 0.8853
329 PH2 0.8852
330 FNA 0.8851
331 9R5 0.8850
332 EYJ 0.8849
333 1FE 0.8849
334 MJ5 0.8848
335 F6R 0.8848
336 4BY 0.8847
337 CR1 0.8847
338 6DP 0.8845
339 JGB 0.8845
340 IWD 0.8844
341 ZYQ 0.8843
342 VUP 0.8843
343 R9Y 0.8841
344 DRG 0.8841
345 D8Q 0.8840
346 LZB 0.8840
347 K97 0.8839
348 EYY 0.8838
349 Y3L 0.8836
350 EZL 0.8836
351 M78 0.8836
352 3GC 0.8836
353 ZIQ 0.8835
354 YOF 0.8834
355 2LT 0.8832
356 2J1 0.8831
357 4NZ 0.8831
358 BEU 0.8831
359 ALE 0.8830
360 YZ9 0.8829
361 Q9P 0.8828
362 5O6 0.8828
363 R5P 0.8828
364 R52 0.8828
365 S3C 0.8827
366 JVA 0.8827
367 N7I 0.8827
368 Z21 0.8824
369 TCR 0.8823
370 ITE 0.8823
371 BZJ 0.8822
372 NLA 0.8822
373 JXT 0.8822
374 2FX 0.8822
375 C9E 0.8822
376 DAH 0.8821
377 ZEA 0.8819
378 4NP 0.8819
379 BGU 0.8818
380 8XL 0.8818
381 8W9 0.8818
382 BGN 0.8818
383 5RP 0.8817
384 NGT 0.8816
385 DXK 0.8816
386 LTM 0.8816
387 5WU 0.8815
388 6DQ 0.8814
389 P4L 0.8814
390 S24 0.8813
391 BIE 0.8813
392 K7H 0.8812
393 PRL 0.8812
394 B52 0.8811
395 NPX 0.8811
396 MXD 0.8810
397 78U 0.8810
398 MPU 0.8810
399 KED 0.8809
400 3D1 0.8809
401 C0W 0.8809
402 3ZB 0.8809
403 LP8 0.8809
404 AVO 0.8808
405 JG8 0.8808
406 JF2 0.8807
407 2KU 0.8806
408 LLG 0.8806
409 56N 0.8805
410 CH8 0.8805
411 HQ6 0.8804
412 C53 0.8804
413 EAE 0.8804
414 22L 0.8804
415 5NN 0.8803
416 UNJ 0.8803
417 S60 0.8803
418 B21 0.8803
419 BPY 0.8800
420 DY8 0.8800
421 OIA 0.8800
422 4FE 0.8799
423 4BL 0.8798
424 HHR 0.8796
425 RP5 0.8795
426 MIG 0.8794
427 5WT 0.8794
428 NGA 0.8793
429 GRF 0.8793
430 7MX 0.8793
431 12R 0.8792
432 4BX 0.8792
433 PYU 0.8792
434 GTV 0.8792
435 JHY 0.8791
436 EV3 0.8790
437 HJB 0.8790
438 K82 0.8789
439 M3F 0.8789
440 537 0.8788
441 535 0.8787
442 0W1 0.8786
443 GXD 0.8785
444 8RK 0.8785
445 HRM 0.8784
446 7L4 0.8783
447 S0W 0.8783
448 P81 0.8783
449 HHV 0.8783
450 MFR 0.8783
451 CP7 0.8782
452 5OF 0.8781
453 AZY 0.8780
454 A7K 0.8780
455 HC4 0.8779
456 GRX 0.8779
457 B23 0.8778
458 NEO 0.8776
459 RNK 0.8775
460 3GX 0.8773
461 5AD 0.8773
462 B5A 0.8772
463 9H2 0.8771
464 3VS 0.8770
465 67Y 0.8770
466 DDU 0.8770
467 DBS 0.8769
468 EQA 0.8769
469 6J9 0.8769
470 CLZ 0.8769
471 OPA 0.8768
472 BP7 0.8768
473 2P3 0.8767
474 6ZW 0.8767
475 A1Y 0.8764
476 NWD 0.8763
477 XYP XYP 0.8763
478 MUK 0.8762
479 CKX 0.8762
480 OX2 0.8761
481 9FH 0.8761
482 Y0V 0.8761
483 AWE 0.8761
484 PRZ 0.8759
485 5E5 0.8759
486 L46 0.8759
487 AY4 0.8759
488 2LX 0.8759
489 5E4 0.8758
490 GNG 0.8758
491 OTA 0.8758
492 AXX 0.8757
493 ZYR 0.8757
494 SNY 0.8757
495 JF1 0.8756
496 BM3 0.8756
497 9KZ 0.8755
498 3QV 0.8755
499 4KL 0.8754
500 GPM 0.8754
501 B2Y 0.8753
502 T1N 0.8753
503 TOH 0.8753
504 DK1 0.8751
505 3AK 0.8751
506 4CN 0.8751
507 RP3 0.8750
508 IS2 0.8748
509 MW5 0.8747
510 JPQ 0.8747
511 8U3 0.8746
512 EXG 0.8746
513 8MO 0.8746
514 HHT 0.8745
515 HA5 0.8745
516 GC3 0.8745
517 D87 0.8744
518 NBG 0.8743
519 0SY 0.8743
520 K68 0.8742
521 7I2 0.8741
522 TXW 0.8741
523 MMS 0.8741
524 SXX 0.8740
525 GL6 0.8739
526 HPP 0.8739
527 PPY 0.8738
528 AHC 0.8738
529 3L1 0.8737
530 EYA 0.8737
531 FCW 0.8737
532 JF8 0.8736
533 428 0.8736
534 CL9 0.8736
535 848 0.8735
536 L07 0.8735
537 1F1 0.8735
538 LOG 0.8734
539 TYR 0.8734
540 92P 0.8733
541 9UL 0.8733
542 3DT 0.8733
543 CP6 0.8732
544 BHQ 0.8731
545 ZRK 0.8730
546 H4B NO 0.8730
547 NGW 0.8729
548 JTA 0.8728
549 CKU 0.8728
550 3N1 0.8727
551 COL 0.8727
552 GP1 0.8727
553 AYS 0.8726
554 CG 0.8724
555 DPT 0.8724
556 BZ2 0.8724
557 2L3 0.8724
558 5GV 0.8723
559 LL1 0.8723
560 XI7 0.8723
561 TLM 0.8723
562 36E 0.8722
563 DJN 0.8722
564 B4O 0.8719
565 DX7 0.8718
566 PIQ 0.8718
567 SLY 0.8718
568 5LA 0.8715
569 DTY 0.8712
570 PNP 0.8712
571 92O 0.8712
572 4NS 0.8711
573 AZM 0.8711
574 8Y7 0.8710
575 5P3 0.8710
576 5F1 0.8709
577 8NX 0.8707
578 E1K 0.8706
579 DBQ 0.8704
580 1SV 0.8704
581 0UL 0.8704
582 3WJ 0.8703
583 7EH 0.8703
584 QUS 0.8703
585 BC3 0.8701
586 W23 0.8701
587 J6W 0.8701
588 CKA 0.8700
589 1VK 0.8700
590 ET0 0.8699
591 TSS 0.8699
592 IFG 0.8698
593 PUE 0.8697
594 IYR 0.8694
595 FDR 0.8692
596 AU8 0.8691
597 ZME 0.8691
598 1A7 0.8689
599 977 0.8689
600 ENO 0.8689
601 UFO 0.8688
602 9GP 0.8688
603 ZYV 0.8687
604 BA5 0.8687
605 1SS 0.8685
606 ICB 0.8685
607 KWB 0.8684
608 CNI 0.8683
609 FZM 0.8682
610 3JC 0.8682
611 THM 0.8681
612 S0D 0.8681
613 LJ4 0.8681
614 57D 0.8681
615 TZM 0.8680
616 IQZ 0.8679
617 LVD 0.8678
618 AMQ 0.8678
619 AVX 0.8677
620 LR2 0.8677
621 0DF 0.8677
622 ELH 0.8677
623 CX6 0.8676
624 5VU 0.8675
625 ZZZ 0.8675
626 GNR 0.8675
627 MPK 0.8673
628 XQI 0.8673
629 55D 0.8673
630 109 0.8672
631 CSN 0.8671
632 0HN 0.8670
633 RNO 0.8669
634 QME 0.8667
635 CKI 0.8666
636 JAW 0.8666
637 5NS 0.8665
638 4MB 0.8664
639 JDN 0.8663
640 IBM 0.8661
641 16G 0.8661
642 833 0.8661
643 549 0.8661
644 GF1 0.8660
645 PFF 0.8660
646 AM4 0.8660
647 CXH 0.8658
648 TYC 0.8658
649 NRA 0.8658
650 TLG 0.8657
651 2SK 0.8657
652 IQ5 0.8653
653 LR5 0.8652
654 OA4 0.8651
655 YE7 0.8651
656 AAN 0.8648
657 8VR 0.8648
658 PJW 0.8647
659 DT7 0.8647
660 JOV 0.8647
661 3IP 0.8646
662 MOK 0.8646
663 2F8 0.8646
664 A2G 0.8646
665 C4E 0.8645
666 8ZE 0.8643
667 NCV 0.8643
668 SNO 0.8642
669 P80 0.8641
670 M4E 0.8641
671 DDC 0.8640
672 CIY 0.8640
673 N2I 0.8639
674 9FL 0.8639
675 AX3 0.8639
676 RUG 0.8638
677 SQP 0.8637
678 RE4 0.8636
679 NGS 0.8634
680 X11 0.8633
681 96R 0.8632
682 QQQ 0.8632
683 BK9 0.8631
684 GSY 0.8629
685 NKI 0.8629
686 3WK 0.8627
687 CUH 0.8625
688 L8J 0.8625
689 49O 0.8625
690 L3L 0.8624
691 5GL 0.8622
692 A5E 0.8621
693 6FZ 0.8620
694 7M5 0.8619
695 LJ3 0.8618
696 JV4 0.8617
697 NYJ 0.8616
698 3A9 0.8615
699 JTH 0.8614
700 8OB 0.8614
701 DUR 0.8614
702 AJ1 0.8613
703 0K7 0.8613
704 TL6 0.8611
705 JA5 0.8611
706 4TP 0.8611
707 JCZ 0.8610
708 YTX 0.8606
709 1PS 0.8605
710 6NT 0.8605
711 0HO 0.8604
712 ST3 0.8604
713 92G 0.8604
714 4NR 0.8604
715 LSQ 0.8604
716 2UZ 0.8604
717 0GA 0.8603
718 K37 0.8603
719 TJM 0.8602
720 QZ8 0.8601
721 1L5 0.8601
722 C82 0.8600
723 78Y 0.8600
724 8NB 0.8599
725 PA5 0.8599
726 X2M 0.8598
727 5B2 0.8597
728 G14 0.8597
729 WS7 0.8596
730 2ZM 0.8595
731 2KA 0.8595
732 FYR 0.8595
733 27K 0.8595
734 6HO 0.8595
735 6ME 0.8593
736 TWB 0.8593
737 1V4 0.8592
738 JR2 0.8592
739 L1T 0.8590
740 7D7 0.8589
741 RYV 0.8585
742 C09 0.8585
743 WLH 0.8585
744 86L 0.8584
745 SRO 0.8582
746 1V3 0.8582
747 F69 0.8582
748 HJH 0.8582
749 PRF 0.8582
750 GNY 0.8580
751 DX2 0.8579
752 IPT 0.8579
753 A6H 0.8579
754 FBF 0.8577
755 7QY 0.8576
756 MNS 0.8574
757 VM1 0.8572
758 39Z 0.8571
759 N4E 0.8571
760 4BF 0.8571
761 BP3 0.8568
762 7M2 0.8566
763 TGX 0.8565
764 9JT 0.8565
765 3VW 0.8565
766 BBK 0.8565
767 Q0K 0.8562
768 6NI 0.8560
769 0LH 0.8560
770 YZM 0.8558
771 512 0.8556
772 WSD 0.8555
773 ETS 0.8555
774 E7S 0.8554
775 IBP 0.8552
776 EST 0.8552
777 XRS 0.8551
778 2QU 0.8550
779 LO1 0.8549
780 774 0.8549
781 IQW 0.8549
782 HO6 0.8540
783 LWS 0.8538
784 LZ2 0.8536
785 6L6 0.8532
786 ZRL 0.8532
787 E4P 0.8529
788 1HR 0.8528
789 2J2 0.8527
790 BZQ 0.8519
791 GVY 0.8519
792 XEN 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TOI; Ligand: HCI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1toi.bio1) has 75 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TOI; Ligand: HCI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1toi.bio1) has 75 residues
No: Leader PDB Ligand Sequence Similarity
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