Receptor
PDB id Resolution Class Description Source Keywords
1FSA 2.3 Å EC: 3.1.3.11 THE T-STATE STRUCTURE OF LYS 42 TO ALA MUTANT OF THE PIG KID FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI SUS SCROFA LYASE FRUCTOSE 1 6-BISPHOSPHATASE HYDROLASE CARBOHYDRATEMETABOLISM GLUCONEOGENESIS ACETYLATION PHOSPHORYLATION
Ref.: EVIDENCE FOR AN ACTIVE T-STATE PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE: INTERFACE RESIDUE LYS-42 IS IMP FOR ALLOSTERIC INHIBITION AND AMP COOPERATIVITY. PROTEIN SCI. V. 5 2333 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:340;
B:340;
Valid;
Valid;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
F6P A:338;
B:338;
Valid;
Valid;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
MN A:339;
B:339;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KC1 2.25 Å EC: 3.1.3.11 CRYSTAL STRUCTURE OF HUMAN LIVER FBPASE IN COMPLEX WITH TRIC INHIBITOR 19A HOMO SAPIENS HYDROLASE ALLOSTERIC ENZYME CARBOHYDRATE METABOLISM DISEAMUTATION GLUCONEOGENESIS MAGNESIUM METAL-BINDING POLYMO
Ref.: STRUCTURE-BASED DRUG DESIGN OF TRICYCLIC 8H-INDENO[1,2-D][1,3]THIAZOLES AS POTENT FBPASE INH BIOORG.MED.CHEM.LETT. V. 20 1004 2010
Members (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.5 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 6LW2 ic50 = 0.029 uM EW0 C24 H22 Cl N3 O5 S Cn1c(cc2c1....
42 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
43 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
44 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.5 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 6LW2 ic50 = 0.029 uM EW0 C24 H22 Cl N3 O5 S Cn1c(cc2c1....
42 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
43 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
44 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
46 2VT5 - ROK ROK n/a n/a
47 6LS5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
48 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
49 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
50 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
51 2WBD ic50 = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
52 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
53 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
54 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
55 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
56 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.5 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 6LW2 ic50 = 0.029 uM EW0 C24 H22 Cl N3 O5 S Cn1c(cc2c1....
42 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
43 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
44 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
46 2VT5 - ROK ROK n/a n/a
47 6LS5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
48 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
49 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
50 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
51 2WBD ic50 = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
52 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
53 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
54 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
55 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
56 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
57 2QVR - FDP C6 H14 O12 P2 C([C@@H]1[....
58 2OWZ - F6P C6 H13 O9 P C([C@@H]1[....
59 2OX3 - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AMP; Similar ligands found: 456
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 45A 0.833333 0.943662
4 ABM 0.833333 0.943662
5 A2D 0.833333 0.943662
6 AMP MG 0.830769 0.956522
7 ADP 0.823529 0.971429
8 BA3 0.808824 0.943662
9 AP2 0.808824 0.931507
10 A12 0.808824 0.931507
11 SRA 0.80303 0.944444
12 AP5 0.797101 0.943662
13 B4P 0.797101 0.943662
14 HEJ 0.788732 0.971429
15 ATP 0.788732 0.971429
16 AN2 0.785714 0.957747
17 AT4 0.785714 0.931507
18 APC 0.777778 0.931507
19 5FA 0.777778 0.971429
20 AQP 0.777778 0.971429
21 AU1 0.774648 0.944444
22 CA0 0.774648 0.917808
23 ADX 0.774648 0.848101
24 M33 0.774648 0.930556
25 KG4 0.763889 0.917808
26 ACP 0.763889 0.944444
27 50T 0.763889 0.957747
28 ADP BEF 0.760563 0.942857
29 ADP MG 0.760563 0.942857
30 25A 0.75641 0.971429
31 APR 0.753425 0.943662
32 AR6 0.753425 0.943662
33 PRX 0.753425 0.917808
34 TAT 0.746667 0.931507
35 T99 0.746667 0.931507
36 ACQ 0.746667 0.944444
37 AGS 0.743243 0.918919
38 RBY 0.743243 0.905405
39 ADV 0.743243 0.905405
40 AD9 0.743243 0.944444
41 ANP 0.723684 0.944444
42 APC MG 0.72 0.916667
43 ATP MG 0.72 0.942857
44 ADP PO3 0.72 0.942857
45 6YZ 0.717949 0.944444
46 5AL 0.714286 0.930556
47 V2G 0.714286 0.894737
48 8LE 0.714286 0.893333
49 SON 0.712329 0.931507
50 BEF ADP 0.710526 0.916667
51 LMS 0.710145 0.825
52 ADN 0.709677 0.842857
53 RAB 0.709677 0.842857
54 XYA 0.709677 0.842857
55 HQG 0.708861 0.957747
56 ATF 0.705128 0.931507
57 GAP 0.701299 0.891892
58 A22 0.7 0.957747
59 8LH 0.696203 0.905405
60 SRP 0.696203 0.905405
61 7D5 0.691176 0.902778
62 A2P 0.684932 0.956522
63 A3P 0.684932 0.971014
64 ALF ADP 0.683544 0.868421
65 ANP MG 0.683544 0.930556
66 VO4 ADP 0.683544 0.944444
67 ADQ 0.682927 0.917808
68 MAP 0.679012 0.918919
69 QA7 0.679012 0.893333
70 8LQ 0.679012 0.905405
71 5SV 0.670732 0.87013
72 OZV 0.670732 0.943662
73 9ZA 0.670732 0.906667
74 9ZD 0.670732 0.906667
75 OOB 0.670732 0.930556
76 8QN 0.670732 0.930556
77 PTJ 0.670588 0.894737
78 AOC 0.666667 0.84507
79 A1R 0.662651 0.881579
80 A3R 0.662651 0.881579
81 AMO 0.662651 0.905405
82 PAJ 0.662651 0.858974
83 4AD 0.662651 0.893333
84 5N5 0.661538 0.816901
85 DAL AMP 0.658537 0.90411
86 IMO 0.657534 0.928571
87 DLL 0.654762 0.930556
88 00A 0.654762 0.881579
89 AHX 0.654762 0.87013
90 JNT 0.654762 0.917808
91 5AS 0.653333 0.776471
92 A4D 0.651515 0.816901
93 5CD 0.651515 0.828571
94 6MZ 0.648649 0.957143
95 ADP BMA 0.647059 0.891892
96 3UK 0.647059 0.917808
97 OAD 0.647059 0.917808
98 9X8 0.647059 0.893333
99 25L 0.643678 0.957747
100 PR8 0.639535 0.848101
101 WAQ 0.639535 0.881579
102 LAD 0.639535 0.858974
103 B5V 0.639535 0.905405
104 DTA 0.637681 0.808219
105 V3L 0.6375 0.971429
106 3DH 0.633803 0.794521
107 3OD 0.632184 0.917808
108 FYA 0.632184 0.930556
109 BIS 0.632184 0.906667
110 TXA 0.632184 0.905405
111 1ZZ 0.632184 0.8375
112 ME8 0.632184 0.8375
113 NB8 0.632184 0.87013
114 MTA 0.628571 0.794521
115 3AM 0.625 0.956522
116 EP4 0.623188 0.773333
117 9SN 0.617977 0.87013
118 M2T 0.614286 0.753247
119 JB6 0.613636 0.881579
120 KMQ 0.611111 0.905405
121 FA5 0.611111 0.905405
122 B5Y 0.611111 0.893333
123 B5M 0.611111 0.893333
124 H1Q 0.607595 0.929577
125 MYR AMP 0.606742 0.814815
126 G5A 0.604938 0.776471
127 XAH 0.604396 0.8375
128 4UV 0.597826 0.893333
129 71V 0.597403 0.906667
130 ATP A 0.593407 0.929577
131 ATP A A A 0.593407 0.929577
132 PAP 0.592593 0.957143
133 G3A 0.591398 0.894737
134 2AM 0.589041 0.942857
135 5X8 0.5875 0.783784
136 6RE 0.586667 0.779221
137 6C6 0.585366 0.905405
138 G5P 0.585106 0.894737
139 AFH 0.585106 0.858974
140 4UU 0.585106 0.893333
141 GA7 0.585106 0.905405
142 7D3 0.584416 0.878378
143 A5A 0.583333 0.804878
144 TSB 0.581395 0.795181
145 AMP DBH 0.580645 0.891892
146 2A5 0.580247 0.891892
147 TAD 0.578947 0.858974
148 GTA 0.578947 0.860759
149 DQV 0.578947 0.930556
150 DSH 0.578947 0.74359
151 6IA 0.578313 0.858974
152 SSA 0.576471 0.776471
153 AMZ 0.575342 0.888889
154 C2R 0.575342 0.876712
155 7D4 0.575 0.878378
156 PGS 0.575 0.857143
157 ZAS 0.573333 0.786667
158 ATR 0.573171 0.942857
159 LAQ 0.572917 0.8375
160 AAM 0.571429 1
161 PPS 0.571429 0.848101
162 A3N 0.571429 0.783784
163 J7C 0.571429 0.789474
164 AIR 0.571429 0.927536
165 52H 0.569767 0.776471
166 54H 0.569767 0.785714
167 VMS 0.569767 0.785714
168 7MD 0.568421 0.8375
169 ARG AMP 0.568421 0.82716
170 AR6 AR6 0.568421 0.916667
171 YLP 0.56701 0.817073
172 48N 0.56701 0.87013
173 OVE 0.565789 0.90411
174 UPA 0.565657 0.881579
175 2SA 0.564706 0.905405
176 S4M 0.564103 0.682353
177 5CA 0.563218 0.776471
178 53H 0.563218 0.776471
179 8X1 0.563218 0.75
180 6V0 0.561224 0.87013
181 NAX 0.561224 0.848101
182 4UW 0.561224 0.858974
183 TXD 0.561224 0.881579
184 UP5 0.561224 0.893333
185 NAI 0.561224 0.881579
186 DND 0.561224 0.905405
187 NIA 0.56 0.820513
188 D5M 0.558442 0.902778
189 DA 0.558442 0.902778
190 NWW 0.557143 0.757143
191 MAO 0.556962 0.777778
192 AHZ 0.556701 0.814815
193 TXE 0.555556 0.881579
194 TYM 0.555556 0.905405
195 ITT 0.555556 0.915493
196 OMR 0.555556 0.82716
197 5AD 0.552239 0.768116
198 A2R 0.551724 0.957747
199 LPA AMP 0.55102 0.814815
200 DSZ 0.550562 0.776471
201 NSS 0.550562 0.776471
202 LSS 0.550562 0.758621
203 YLC 0.55 0.8375
204 L3W 0.55 0.905405
205 YLB 0.55 0.817073
206 AP0 0.55 0.87013
207 4TC 0.55 0.87013
208 P5A 0.549451 0.741573
209 J4G 0.549451 0.918919
210 139 0.54902 0.848101
211 O02 0.547619 0.894737
212 A4P 0.544554 0.819277
213 NVA LMS 0.544444 0.75
214 GJV 0.544304 0.769231
215 7D7 0.544118 0.763889
216 9K8 0.543478 0.711111
217 A7D 0.54321 0.797297
218 AF3 ADP 3PG 0.54 0.835443
219 ALF ADP 3PG 0.54 0.835443
220 6K6 0.539326 0.957143
221 IOT 0.539216 0.829268
222 LEU LMS 0.538462 0.747126
223 A3G 0.538462 0.797297
224 A5D 0.535714 0.808219
225 NAD IBO 0.534653 0.916667
226 7MC 0.534653 0.817073
227 NAD TDB 0.534653 0.916667
228 YLA 0.533981 0.817073
229 T5A 0.533981 0.817073
230 ADJ 0.533981 0.82716
231 GSU 0.532609 0.776471
232 KAA 0.532609 0.75
233 7RA 0.531646 0.985507
234 SFG 0.53012 0.77027
235 SAH 0.529412 0.763158
236 HFD 0.529412 0.918919
237 JSQ 0.529412 0.918919
238 AYB 0.528846 0.807229
239 CNA 0.528846 0.905405
240 N6P 0.527473 0.942029
241 8BR 0.525 0.931507
242 F2R 0.52381 0.839506
243 80F 0.523364 0.817073
244 Y3J 0.521127 0.746479
245 YSA 0.520833 0.776471
246 7RP 0.518987 0.955882
247 NAD 0.518868 0.930556
248 BTX 0.518868 0.839506
249 COD 0.518868 0.788235
250 MHZ 0.518072 0.714286
251 SA8 0.517647 0.725
252 6AD 0.517241 0.883117
253 BT5 0.514019 0.829268
254 DZD 0.514019 0.858974
255 RMB 0.5125 0.898551
256 CUU 0.511905 0.943662
257 SAI 0.511628 0.753247
258 AV2 0.511364 0.890411
259 K2R 0.510638 0.878378
260 8PZ 0.510417 0.776471
261 K3K 0.510417 0.8
262 A3D 0.509259 0.917808
263 A3S 0.506024 0.808219
264 3AT 0.505747 0.943662
265 SAM 0.505747 0.707317
266 SMM 0.505618 0.702381
267 NA7 0.505376 0.931507
268 B1U 0.505155 0.733333
269 AMP NAD 0.504673 0.90411
270 4TA 0.504673 0.804878
271 5GP 0.5 0.905405
272 EEM 0.5 0.707317
273 NEC 0.5 0.743243
274 NO7 0.5 0.905405
275 G 0.5 0.905405
276 AAT 0.5 0.725
277 YLY 0.495495 0.807229
278 M24 0.495495 0.848101
279 7C5 0.494949 0.815789
280 A3T 0.494118 0.819444
281 DAT 0.494118 0.878378
282 FAI 0.493827 0.888889
283 P2P 0.493827 0.928571
284 1RB 0.493671 0.911765
285 NAE 0.491071 0.893333
286 D4F 0.491071 0.8375
287 NAJ PZO 0.490909 0.846154
288 KOY 0.490196 0.8
289 LQJ 0.489796 0.916667
290 TM1 0.489583 0.771084
291 PO4 PO4 A A A A PO4 0.489362 0.901408
292 A6D 0.489362 0.740741
293 QXP 0.48913 0.761905
294 V47 0.488889 0.780822
295 S7M 0.488889 0.707317
296 DTP 0.488636 0.878378
297 RBZ 0.4875 0.873239
298 101 0.4875 0.902778
299 NWQ 0.487179 0.736111
300 EAD 0.486957 0.848101
301 NAQ 0.486726 0.87013
302 4YB 0.485149 0.758621
303 K3E 0.484848 0.789474
304 NDE 0.483051 0.931507
305 38V 0.482456 0.860759
306 N0B 0.482456 0.817073
307 ZID 0.482456 0.917808
308 N5O 0.481481 0.76
309 WSA 0.480769 0.785714
310 KL2 0.480519 0.861111
311 RGT 0.479592 0.931507
312 ARU 0.478723 0.835443
313 GGZ 0.478261 0.8
314 JLN 0.47561 0.863014
315 ANZ 0.475248 0.820513
316 QQY 0.475 0.837838
317 ACK 0.475 0.885714
318 QXG 0.473684 0.752941
319 NAJ PYZ 0.473684 0.804878
320 S8M 0.473118 0.779221
321 AVV 0.473118 0.87013
322 GEK 0.473118 0.734177
323 3AD 0.472973 0.828571
324 P1H 0.470588 0.82716
325 N5A 0.46988 0.733333
326 R2V 0.46875 0.761905
327 0UM 0.468085 0.716049
328 RVP 0.467532 0.847222
329 649 0.466667 0.741573
330 Z5A 0.465517 0.776471
331 PMO 0.464286 0.873239
332 O05 0.463918 0.819277
333 SXZ 0.463918 0.707317
334 62X 0.463158 0.682353
335 K2H 0.463158 0.753247
336 QQX 0.4625 0.826667
337 KY2 0.462366 0.75
338 8Q2 0.462264 0.75
339 OK8 0.461538 0.853333
340 K2W 0.46 0.7375
341 2VA 0.45977 0.797297
342 IMP 0.458824 0.90411
343 CC5 0.458333 0.84058
344 K15 0.458333 0.698795
345 AS 0.457831 0.855263
346 DDS 0.455556 0.851351
347 V1N 0.455446 0.943662
348 NJP 0.454545 0.918919
349 K38 0.454545 0.776316
350 K2K 0.453608 0.734177
351 7DD 0.453488 0.957143
352 G7M 0.453488 0.87013
353 93A 0.453488 0.804878
354 3D1 0.453333 0.77027
355 3L1 0.453333 0.77027
356 KYB 0.452632 0.75
357 EO7 0.452381 0.785714
358 NDC 0.45082 0.87013
359 FB0 0.45082 0.781609
360 DZ4 0.450549 0.855263
361 0WD 0.45045 0.894737
362 NVA 2AD 0.449438 0.75641
363 26A 0.447368 0.76
364 2FA 0.447368 0.810811
365 2BA 0.447059 0.914286
366 CMP 0.447059 0.927536
367 D3Y 0.446809 0.786667
368 K3H 0.445545 0.746835
369 VRT 0.444444 0.766234
370 APU 0.444444 0.893333
371 KB1 0.444444 0.716049
372 KY5 0.444444 0.74359
373 SO8 0.444444 0.786667
374 FDA 0.443548 0.809524
375 PUA 0.443478 0.858974
376 ODP 0.441441 0.883117
377 6FA 0.44 0.817073
378 NX8 0.43956 0.7125
379 RP1 0.439024 0.864865
380 SP1 0.439024 0.864865
381 103 0.439024 0.861111
382 3NZ 0.438776 0.779221
383 KY8 0.438776 0.746835
384 7DT 0.438202 0.957143
385 NDP 0.436364 0.894737
386 NPW 0.436364 0.860759
387 MTP 0.434211 0.727273
388 FAD 0.433071 0.82716
389 SFD 0.433071 0.712766
390 FAS 0.433071 0.82716
391 TXP 0.432432 0.894737
392 IRN 0.432432 0.867647
393 NZQ 0.432432 0.883117
394 ZZB 0.432432 0.792683
395 KYE 0.431373 0.731707
396 62F 0.430769 0.8375
397 FNK 0.430769 0.781609
398 128 0.429907 0.752941
399 9BG 0.428571 0.87013
400 KXW 0.428571 0.725
401 6MD 0.428571 0.805556
402 PAX 0.428571 0.82716
403 1DA 0.428571 0.842857
404 SLU 0.426087 0.767442
405 PLP AAD 0.426087 0.75
406 XNP 0.424779 0.848101
407 HZ2 0.424528 0.728395
408 12D 0.424528 0.761905
409 5F1 0.423077 0.72973
410 DCA 0.422414 0.8
411 ETB 0.422414 0.809524
412 NWZ 0.422222 0.7
413 F0P 0.422018 0.725
414 ERJ 0.421687 0.777778
415 WMP 0.421053 0.864865
416 GUO 0.421053 0.864865
417 OZP 0.420561 0.725
418 U4Y 0.420561 0.734177
419 HY8 0.416667 0.728395
420 FAY 0.416667 0.8375
421 38Y 0.415929 0.804878
422 5J9 0.415842 0.728395
423 NAD BBN 0.415385 0.817073
424 COA 0.415254 0.8
425 0T1 0.415254 0.8
426 KH3 0.415094 0.690476
427 N01 0.413793 0.90411
428 FMP 0.413793 0.871429
429 RFL 0.413534 0.797619
430 NMN AMP PO4 0.412281 0.868421
431 NAD CJ3 0.409091 0.788235
432 Q34 0.409091 0.690476
433 Q2M 0.409091 0.707317
434 GDP 0.408602 0.893333
435 GP2 0.408602 0.858974
436 NAP 0.408333 0.944444
437 NOC 0.407895 0.760563
438 CNV FAD 0.407407 0.770115
439 2ER 0.405941 0.831169
440 1PR 0.405941 0.820513
441 P5F 0.405797 0.8
442 CAO 0.404959 0.772727
443 30N 0.404959 0.731183
444 TAP 0.404959 0.906667
445 COS 0.404959 0.781609
446 AMX 0.404959 0.809524
447 EU9 0.40367 0.681818
448 XMP 0.402299 0.891892
449 G2P 0.402062 0.858974
450 NA0 0.401639 0.931507
451 CMX 0.401639 0.8
452 SCO 0.401639 0.8
453 9JJ 0.40146 0.8375
454 Q2P 0.4 0.690476
455 N37 0.4 0.730769
456 F2N 0.4 0.790698
Ligand no: 2; Ligand: F6P; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 TA6 1 1
2 F6P 1 1
3 FBP 0.666667 0.954545
4 AFP 0.666667 0.954545
5 SF6 0.564103 0.744186
6 FRU 0.564103 0.744186
7 PSV 0.564103 0.744186
8 LFR 0.564103 0.744186
9 SF9 0.564103 0.744186
10 FDP 0.55102 0.954545
11 F1X 0.531915 1
12 QIF 0.489796 0.787234
13 FRU FRU FRU FRU 0.464286 0.755556
14 FRU FRU FRU 0.464286 0.755556
15 Z9N GLC 0.45614 0.73913
16 S7P 0.444444 0.976744
17 AHG 0.431818 0.886364
18 ABF 0.404255 0.906977
19 HSX 0.404255 0.906977
20 RP5 0.404255 0.906977
Similar Ligands (3D)
Ligand no: 1; Ligand: AMP; Similar ligands found: 216
No: Ligand Similarity coefficient
1 IRP 0.9883
2 DI 0.9755
3 8OP 0.9715
4 IMU 0.9698
5 TKW 0.9696
6 MZP 0.9690
7 PFU 0.9673
8 5FU 0.9664
9 DG 0.9620
10 6MA 0.9618
11 6CG 0.9613
12 U5P 0.9607
13 DGP 0.9601
14 PSU 0.9555
15 C5P 0.9513
16 FDM 0.9499
17 TMP 0.9498
18 5BU 0.9493
19 QBT 0.9492
20 FNU 0.9488
21 8GM 0.9484
22 UFP 0.9484
23 NYM 0.9477
24 5HM 0.9472
25 6OG 0.9471
26 5CM 0.9461
27 16B 0.9451
28 FN5 0.9442
29 NCN 0.9424
30 C 0.9418
31 9L3 0.9417
32 Z8B 0.9410
33 UP6 0.9400
34 NMN 0.9397
35 H2U 0.9395
36 ICR 0.9389
37 BMP 0.9380
38 UMP 0.9373
39 U 0.9368
40 BRU 0.9365
41 CH 0.9364
42 BMQ 0.9360
43 MTH 0.9360
44 8OG 0.9356
45 MTM 0.9347
46 CNU 0.9342
47 MTI 0.9342
48 6SW 0.9342
49 D4M 0.9334
50 2DT 0.9334
51 UMC 0.9304
52 CAR 0.9298
53 5IU 0.9287
54 5HU 0.9283
55 O7E 0.9281
56 DCM 0.9270
57 KB7 0.9270
58 DU 0.9269
59 DC 0.9269
60 NUP 0.9238
61 7CH 0.9219
62 DDN 0.9211
63 MCF 0.9205
64 PCG 0.9201
65 O8M 0.9197
66 DUS 0.9192
67 U6M 0.9180
68 S5P 0.9167
69 DOC 0.9149
70 3F5 0.9146
71 6SX 0.9133
72 U4S 0.9101
73 35G 0.9100
74 N8M 0.9089
75 6CN 0.9083
76 CDP 0.9080
77 T3S 0.9079
78 U1S 0.9071
79 MTE 0.9067
80 U2S 0.9058
81 DBM 0.9053
82 BVP 0.9052
83 4X2 0.9040
84 ATM 0.9025
85 SB8 0.9022
86 INR 0.9008
87 UA2 0.9007
88 A8M 0.9006
89 IMH 0.9006
90 TAL 0.8998
91 SSI 0.8986
92 U3S 0.8983
93 1B6 0.8972
94 3Q1 0.8972
95 TBN 0.8968
96 NOS 0.8966
97 IXF 0.8952
98 AD3 0.8932
99 1BJ 0.8932
100 SU1 0.8927
101 43J 0.8924
102 6SY 0.8920
103 9ZS 0.8918
104 IDP 0.8918
105 6SZ 0.8915
106 JW5 0.8914
107 OMP 0.8905
108 CC7 0.8903
109 T7O 0.8893
110 6AU 0.8887
111 PRH 0.8871
112 HPR 0.8871
113 2GE 0.8871
114 3Q2 0.8869
115 FMC 0.8862
116 ARJ 0.8861
117 9DI 0.8859
118 GNH 0.8855
119 3Q0 0.8849
120 GMP 0.8848
121 FMB 0.8845
122 4EZ 0.8839
123 K8W 0.8831
124 UM3 0.8830
125 MI1 0.8828
126 5ID 0.8815
127 NVV 0.8812
128 HDU 0.8812
129 43G 0.8808
130 UDP 0.8793
131 CFE 0.8793
132 FTU 0.8791
133 HMK 0.8787
134 5FD 0.8778
135 DN8 0.8777
136 72H 0.8776
137 7CU 0.8776
138 2OM 0.8774
139 CZV 0.8771
140 FSB 0.8768
141 HGH 0.8760
142 DOI 0.8756
143 3BH 0.8754
144 XYP TRS XYP 0.8748
145 FGN 0.8746
146 5NB 0.8741
147 LRT 0.8737
148 M7G 0.8735
149 NYZ 0.8731
150 3RA 0.8725
151 MSS 0.8719
152 TXS 0.8712
153 8OD 0.8710
154 S1Z 0.8709
155 4ZK 0.8706
156 L0F 0.8706
157 IYX 0.8702
158 GOW 0.8702
159 EKH 0.8698
160 CQU 0.8694
161 KFS 0.8692
162 0NL 0.8691
163 T3P 0.8690
164 F2B 0.8690
165 4K9 0.8689
166 PWH 0.8686
167 CL9 0.8686
168 GQE 0.8681
169 P1S 0.8676
170 SNI 0.8676
171 9ST 0.8674
172 GAR 0.8673
173 566 0.8671
174 DGI 0.8669
175 9ME 0.8666
176 RVA 0.8664
177 H4H 0.8662
178 SBW 0.8659
179 9W8 0.8653
180 2HW 0.8653
181 BSB 0.8653
182 GNG 0.8644
183 TDI 0.8643
184 MDR 0.8641
185 6HW 0.8634
186 460 0.8634
187 T61 0.8631
188 C1Y 0.8627
189 HLN 0.8624
190 43H 0.8621
191 TYD 0.8615
192 IXE 0.8613
193 66P 0.8609
194 I0D 0.8609
195 MG7 0.8608
196 MHR 0.8608
197 JY5 0.8606
198 4UB 0.8600
199 CC2 0.8599
200 JZJ 0.8598
201 F13 0.8595
202 PDB 0.8588
203 517 0.8585
204 BHF 0.8579
205 IWH 0.8576
206 XYS AZI XYS 0.8571
207 9X0 0.8566
208 KKE 0.8563
209 9RK 0.8559
210 VAL TRP 0.8553
211 4F0 0.8553
212 IYZ 0.8549
213 FKJ 0.8547
214 361 0.8538
215 E44 0.8526
216 E3Y 0.8504
Ligand no: 2; Ligand: F6P; Similar ligands found: 438
No: Ligand Similarity coefficient
1 M6P 0.9518
2 G6P 0.9506
3 GLP 0.9456
4 M6D 0.9452
5 D6G 0.9396
6 3LJ 0.9318
7 TU0 0.9304
8 BG6 0.9272
9 NPL 0.9245
10 PLP 0.9203
11 PLR 0.9200
12 F1P 0.9186
13 A6P 0.9184
14 UFO 0.9164
15 4R1 0.9129
16 APZ 0.9123
17 GJK 0.9118
18 PTS 0.9115
19 PMP 0.9102
20 PXP 0.9099
21 C9M 0.9077
22 FER 0.9070
23 GRF 0.9065
24 6ME 0.9041
25 PAL 0.9027
26 I6G 0.9024
27 SSY 0.9021
28 N88 0.9019
29 QX4 0.9018
30 RGG 0.9016
31 MP5 0.9014
32 XQK 0.9010
33 20J 0.9008
34 2D3 0.9006
35 N7I 0.9006
36 MOK 0.9002
37 8W9 0.8997
38 1VQ 0.8995
39 LRW 0.8993
40 YO5 0.8988
41 SYR 0.8988
42 AZY 0.8977
43 PZP 0.8977
44 PLP PMP 0.8977
45 CIY 0.8969
46 9C2 0.8966
47 PH2 0.8961
48 DQU 0.8959
49 PA5 0.8959
50 A5P 0.8958
51 C9E 0.8956
52 RP3 0.8951
53 STT 0.8948
54 SXS 0.8946
55 HE8 0.8945
56 IL5 0.8943
57 4TP 0.8938
58 GM7 0.8938
59 GJS 0.8935
60 5WM 0.8933
61 NIY 0.8933
62 5WN 0.8931
63 IOP 0.8930
64 HBO 0.8930
65 I2E 0.8929
66 R1P 0.8929
67 OTW 0.8927
68 1QV 0.8923
69 GZ8 0.8923
70 QR2 0.8920
71 QAT 0.8918
72 CTN 0.8916
73 JVA 0.8911
74 GT1 0.8908
75 4V6 0.8904
76 3TJ 0.8902
77 GPM 0.8902
78 GL6 0.8902
79 CWS 0.8901
80 B62 0.8900
81 BGP 0.8899
82 8CM 0.8899
83 6PR 0.8898
84 39O 0.8896
85 3Z8 0.8895
86 QAS 0.8894
87 V2Z 0.8891
88 N8Y 0.8891
89 R5P 0.8890
90 KUF 0.8890
91 FDR 0.8888
92 IPD 0.8887
93 0P6 0.8885
94 DXP 0.8884
95 44W 0.8883
96 MVN 0.8883
97 G1P 0.8880
98 LXP 0.8879
99 M1P 0.8877
100 5SP 0.8874
101 CKU 0.8874
102 HHR 0.8873
103 14W 0.8872
104 GFP 0.8868
105 KWB 0.8868
106 B5D 0.8867
107 XHP 0.8864
108 7WR 0.8863
109 OSB 0.8862
110 TRP 0.8862
111 HQD 0.8861
112 RCV 0.8860
113 DPZ 0.8859
114 PMV 0.8858
115 DNA 0.8858
116 GDE 0.8855
117 Q71 0.8854
118 V1T 0.8852
119 VK3 0.8852
120 YTX 0.8842
121 49N 0.8841
122 Q77 0.8841
123 KT7 0.8841
124 0FO 0.8840
125 DHC 0.8836
126 44V 0.8833
127 5P3 0.8830
128 NFZ 0.8829
129 2FQ 0.8829
130 2V0 0.8828
131 9BF 0.8826
132 TYU 0.8824
133 L7T 0.8823
134 2GQ 0.8823
135 0FK 0.8821
136 BEA 0.8821
137 NBG 0.8819
138 CLZ 0.8818
139 M7P 0.8816
140 YQA 0.8813
141 5VJ 0.8813
142 IBM 0.8812
143 KGK 0.8808
144 O2Y 0.8808
145 8MO 0.8807
146 X04 0.8804
147 NHT 0.8804
148 JKZ 0.8804
149 MRU 0.8802
150 2K8 0.8801
151 9F8 0.8800
152 8HC 0.8798
153 R52 0.8797
154 F69 0.8797
155 6NZ 0.8793
156 JR2 0.8793
157 BPU 0.8790
158 PBG 0.8790
159 CR1 0.8790
160 EGR 0.8787
161 QMS 0.8786
162 URC 0.8786
163 VXX 0.8781
164 D5X 0.8780
165 GC3 0.8779
166 UFV 0.8778
167 60Q 0.8776
168 9GP 0.8775
169 H5B 0.8775
170 AC2 0.8774
171 URI 0.8774
172 DAH 0.8774
173 FLV 0.8773
174 4FE 0.8771
175 NAG 0.8771
176 6DP 0.8769
177 VM1 0.8766
178 97T 0.8766
179 M3Q 0.8765
180 4Z9 0.8764
181 NLQ 0.8764
182 5OO 0.8763
183 49O 0.8762
184 DER 0.8761
185 P80 0.8760
186 LT8 0.8760
187 STV 0.8758
188 5NS 0.8758
189 EJZ 0.8758
190 5GT 0.8758
191 SG2 0.8757
192 TQU 0.8754
193 Z5P 0.8753
194 5RP 0.8753
195 LSQ 0.8752
196 5F8 0.8752
197 HKD 0.8752
198 HPT 0.8751
199 H35 0.8751
200 RVE 0.8751
201 JV4 0.8750
202 PRF 0.8749
203 AMG 0.8749
204 49P 0.8745
205 61O 0.8744
206 G6Q 0.8744
207 AMR 0.8744
208 LTN 0.8744
209 MTS 0.8743
210 4XV 0.8743
211 JTH 0.8743
212 1Z8 0.8739
213 DEE 0.8738
214 GCB 0.8737
215 HHS 0.8736
216 LDR 0.8735
217 GCU 0.8734
218 N2M 0.8734
219 OA3 0.8733
220 Q5M 0.8733
221 DNC 0.8731
222 U7E 0.8730
223 5FL 0.8730
224 KFH 0.8730
225 SXX 0.8729
226 ALA PRO 0.8728
227 26E 0.8728
228 7ZL 0.8727
229 P4L 0.8727
230 ZYR 0.8726
231 2OR 0.8725
232 6HP 0.8724
233 86J 0.8723
234 GTR 0.8722
235 R10 0.8722
236 HLZ 0.8721
237 M3N 0.8719
238 QSH 0.8719
239 0LO 0.8717
240 SNR 0.8716
241 F6R 0.8714
242 VNL 0.8713
243 RDY 0.8713
244 8U3 0.8712
245 FA6 0.8712
246 CBF 0.8711
247 LEL 0.8711
248 BDP 0.8710
249 2HC 0.8708
250 EXD 0.8708
251 78P 0.8707
252 5F5 0.8707
253 GC2 0.8706
254 2UZ 0.8706
255 DXK 0.8705
256 AVA 0.8704
257 LSA 0.8703
258 4ME 0.8701
259 GTC 0.8701
260 MBG 0.8700
261 23J 0.8699
262 3IL 0.8699
263 EWG 0.8699
264 F40 0.8698
265 RXA 0.8698
266 363 0.8696
267 LZ2 0.8696
268 92P 0.8695
269 28N 0.8695
270 1X4 0.8691
271 6PG 0.8691
272 ZIP 0.8690
273 P7Y 0.8685
274 RKV 0.8684
275 KTW 0.8683
276 MWP 0.8683
277 BM3 0.8682
278 SYA 0.8682
279 DG2 0.8681
280 DHK 0.8680
281 1N4 0.8678
282 GO8 0.8678
283 M0Q 0.8676
284 5E5 0.8676
285 IOS 0.8674
286 495 0.8673
287 0F9 0.8673
288 4KL 0.8671
289 GYP 0.8669
290 M3L 0.8669
291 KDN 0.8668
292 NQ 0.8668
293 IPT 0.8667
294 K3Q 0.8666
295 SQP 0.8666
296 TB8 0.8665
297 ZZU 0.8663
298 6Q3 0.8663
299 2UD 0.8662
300 6J5 0.8662
301 J9Q 0.8662
302 B41 0.8659
303 5FN 0.8657
304 EVA 0.8657
305 MPK 0.8657
306 61M 0.8657
307 L22 0.8655
308 MIL 0.8655
309 0N7 0.8654
310 JF1 0.8652
311 NTF 0.8651
312 DCZ 0.8651
313 DUR 0.8648
314 DIN 0.8648
315 R8V 0.8648
316 0W1 0.8646
317 4XS 0.8646
318 7I2 0.8645
319 AHL 0.8643
320 GOX 0.8642
321 NPA 0.8641
322 3D8 0.8639
323 YOF 0.8637
324 XXG 0.8636
325 I4D 0.8636
326 DI6 0.8634
327 NOK 0.8634
328 HMQ 0.8634
329 YIP 0.8633
330 I5A 0.8633
331 KYA 0.8632
332 MUR 0.8631
333 Q6T 0.8630
334 F5C 0.8629
335 ONR 0.8629
336 57O 0.8628
337 KYN 0.8627
338 APS 0.8624
339 MRW 0.8624
340 293 0.8620
341 ALE 0.8619
342 8XQ 0.8619
343 TZP 0.8618
344 AEH 0.8618
345 4XF 0.8614
346 MMS 0.8613
347 ESI 0.8612
348 OMD 0.8612
349 4U7 0.8612
350 ZME 0.8611
351 B4O 0.8609
352 CFA 0.8608
353 KBR 0.8608
354 289 0.8607
355 ZEZ 0.8607
356 EQA 0.8605
357 PW1 0.8605
358 1QP 0.8604
359 9PY 0.8604
360 PRZ 0.8603
361 9KT 0.8601
362 FXH 0.8601
363 3C5 0.8601
364 IYR 0.8600
365 4NO 0.8599
366 NQH 0.8599
367 TZM 0.8599
368 ZEA 0.8599
369 IVL 0.8597
370 GLS 0.8596
371 C1F 0.8596
372 H7Y 0.8595
373 GL1 0.8595
374 CHQ 0.8594
375 7ZE 0.8593
376 MUX 0.8592
377 4TU 0.8592
378 3Y7 0.8591
379 BP7 0.8591
380 8NX 0.8589
381 TWO 0.8587
382 OX2 0.8584
383 878 0.8584
384 X6W 0.8582
385 A1Y 0.8582
386 BY5 0.8582
387 MT8 0.8580
388 091 0.8580
389 CKX 0.8579
390 ZEC 0.8577
391 7ME 0.8576
392 8TX 0.8576
393 JF2 0.8576
394 8G6 0.8575
395 KLV 0.8574
396 2O6 0.8574
397 AX3 0.8573
398 5QX 0.8572
399 4BX 0.8571
400 4HC 0.8571
401 J9W 0.8570
402 5TO 0.8569
403 4GP 0.8568
404 8NB 0.8567
405 X48 0.8566
406 XM5 0.8565
407 R9Y 0.8565
408 ZON 0.8565
409 RBV 0.8563
410 BGT 0.8563
411 HNQ 0.8563
412 DX3 0.8562
413 3SU 0.8562
414 QIV 0.8561
415 2KA 0.8561
416 ADA 0.8560
417 LL1 0.8558
418 96Z 0.8558
419 GZ2 0.8556
420 5WY 0.8554
421 ROI 0.8551
422 W8G 0.8550
423 1FE 0.8549
424 GAL 0.8549
425 2LT 0.8548
426 16G 0.8543
427 ACE PHE 0.8543
428 C4E 0.8542
429 S6P 0.8540
430 K2P 0.8539
431 680 0.8538
432 F06 0.8536
433 0FN 0.8536
434 DBX 0.8534
435 CL9 0.8523
436 SRO 0.8522
437 ASE 0.8521
438 SER PRO 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KC1; Ligand: 2T6; 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: 3kc1.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KC1; Ligand: 2T6; 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: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3KC1; Ligand: 2T6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3kc1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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