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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1F6T | - | TBD | C10 H19 B N2 O10 P2 | [BH3-][P@@.... |
2 | 1NDP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 3FKB | - | TNM | C9 H15 N5 O7 P2 | C[C@H](Cn1.... |
4 | 1KDN | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
5 | 1LWX | - | AZD | C10 H15 N5 O10 P2 | CC1=CN(C(=.... |
6 | 1NDC | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
7 | 2BEF | - | BEF ADP | n/a | n/a |
8 | 1F3F | Kd = 21.3 uM | D4T | C10 H15 N2 O13 P3 | CC1=CN(C(=.... |
9 | 4CP5 | Kd = 452 uM | EOI | C9 H16 N5 O9 P3 S | C[C@H](Cn1.... |
10 | 1B4S | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 1S5Z | - | SON | C12 H16 N5 O8 P | c1nc(c2c(n.... |
12 | 1MN7 | - | ABT | C10 H17 B N5 O12 P3 | B=P(O)(OC[.... |
13 | 3NGU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 1WKL | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
15 | 1ZS6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
16 | 6XPV | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
17 | 6XPW | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
18 | 6XPU | - | IDP | C10 H14 N4 O11 P2 | c1nc2c(n1[.... |
19 | 6XPT | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
20 | 6XP7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 6XPS | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
22 | 4UOG | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
23 | 4UOH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 1BE4 | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
25 | 3BBB | - | DG | C10 H14 N5 O7 P | c1nc2c(n1[.... |
26 | 1NUE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
27 | 1BHN | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
28 | 2HVD | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
29 | 1UCN | Kd = 6 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
30 | 3BBF | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
31 | 2HVE | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1F6T | - | TBD | C10 H19 B N2 O10 P2 | [BH3-][P@@.... |
2 | 1NDP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 3FKB | - | TNM | C9 H15 N5 O7 P2 | C[C@H](Cn1.... |
4 | 1KDN | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
5 | 1LWX | - | AZD | C10 H15 N5 O10 P2 | CC1=CN(C(=.... |
6 | 1NDC | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
7 | 2BEF | - | BEF ADP | n/a | n/a |
8 | 1F3F | Kd = 21.3 uM | D4T | C10 H15 N2 O13 P3 | CC1=CN(C(=.... |
9 | 4CP5 | Kd = 452 uM | EOI | C9 H16 N5 O9 P3 S | C[C@H](Cn1.... |
10 | 1B4S | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 1S5Z | - | SON | C12 H16 N5 O8 P | c1nc(c2c(n.... |
12 | 1MN7 | - | ABT | C10 H17 B N5 O12 P3 | B=P(O)(OC[.... |
13 | 3EVO | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
14 | 3ELH | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
15 | 3GP9 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 3EJM | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
17 | 3FBB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
18 | 3EMT | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
19 | 3FCV | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
20 | 3EIC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
21 | 3EVM | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
22 | 3B6B | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
23 | 3FCW | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
24 | 2B8Q | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
25 | 3DKD | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
26 | 3DDI | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
27 | 3FBE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
28 | 3ETM | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
29 | 3GPA | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
30 | 3ENA | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
31 | 3EM1 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
32 | 3EE3 | - | CDP MG | n/a | n/a |
33 | 3NGU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
34 | 3Q86 | - | GTP MG | n/a | n/a |
35 | 3Q8U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
36 | 3Q8V | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
37 | 1WKL | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
38 | 1ZS6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
39 | 6XPV | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
40 | 6XPW | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
41 | 6XPU | - | IDP | C10 H14 N4 O11 P2 | c1nc2c(n1[.... |
42 | 6XPT | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
43 | 6XP7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
44 | 6XPS | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
45 | 4UOG | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
46 | 4UOH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
47 | 2AZ3 | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
48 | 1NHK | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
49 | 1NLK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
50 | 1BE4 | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
51 | 3BBB | - | DG | C10 H14 N5 O7 P | c1nc2c(n1[.... |
52 | 1NUE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
53 | 1BHN | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
54 | 2HVD | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
55 | 1UCN | Kd = 6 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
56 | 3BBF | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
57 | 2HVE | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DA | 1 | 1 |
2 | D5M | 1 | 1 |
3 | DAT | 0.816901 | 0.971831 |
4 | AS | 0.808824 | 0.945205 |
5 | DTP | 0.773333 | 0.971831 |
6 | DZ4 | 0.763158 | 0.945205 |
7 | 3D1 | 0.707692 | 0.833333 |
8 | 3L1 | 0.707692 | 0.833333 |
9 | DOI | 0.68 | 0.916667 |
10 | 6MA | 0.68 | 0.957747 |
11 | 5F1 | 0.661765 | 0.816901 |
12 | 101 | 0.613333 | 0.943662 |
13 | CPA | 0.585859 | 0.860759 |
14 | 7D5 | 0.581081 | 0.890411 |
15 | 6OG | 0.580247 | 0.932432 |
16 | 103 | 0.578947 | 0.849315 |
17 | AMP | 0.558442 | 0.902778 |
18 | A | 0.558442 | 0.902778 |
19 | A3P | 0.54321 | 0.902778 |
20 | DDS | 0.528736 | 0.916667 |
21 | A2P | 0.52439 | 0.915493 |
22 | CUU | 0.517647 | 0.90411 |
23 | DG | 0.511905 | 0.894737 |
24 | DGP | 0.511905 | 0.894737 |
25 | HF7 | 0.511111 | 0.958333 |
26 | ZDA | 0.505747 | 0.826667 |
27 | ABM | 0.5 | 0.853333 |
28 | 45A | 0.5 | 0.853333 |
29 | 3AT | 0.494382 | 0.90411 |
30 | 7D3 | 0.493976 | 0.866667 |
31 | ADP | 0.482353 | 0.878378 |
32 | A2D | 0.481928 | 0.853333 |
33 | KF5 | 0.479452 | 0.652778 |
34 | V3L | 0.477778 | 0.878378 |
35 | DI | 0.476744 | 0.893333 |
36 | AMP MG | 0.47561 | 0.863014 |
37 | 2AM | 0.475 | 0.902778 |
38 | PPS | 0.472527 | 0.792683 |
39 | PAP | 0.47191 | 0.890411 |
40 | ADX | 0.471264 | 0.771084 |
41 | 7D4 | 0.471264 | 0.866667 |
42 | BA3 | 0.470588 | 0.853333 |
43 | A12 | 0.470588 | 0.893333 |
44 | AP2 | 0.470588 | 0.893333 |
45 | 3AM | 0.469136 | 0.888889 |
46 | MDR | 0.467532 | 0.780822 |
47 | ATP | 0.465909 | 0.878378 |
48 | HEJ | 0.465909 | 0.878378 |
49 | B4P | 0.465116 | 0.853333 |
50 | AP5 | 0.465116 | 0.853333 |
51 | AQP | 0.460674 | 0.878378 |
52 | APC | 0.460674 | 0.893333 |
53 | PRX | 0.460674 | 0.855263 |
54 | 2A5 | 0.460674 | 0.905405 |
55 | 5FA | 0.460674 | 0.878378 |
56 | 3AD | 0.460526 | 0.791667 |
57 | AT4 | 0.45977 | 0.844156 |
58 | AN2 | 0.45977 | 0.866667 |
59 | J4G | 0.459184 | 0.881579 |
60 | OVE | 0.457831 | 0.866667 |
61 | SRA | 0.457831 | 0.855263 |
62 | ATR | 0.455556 | 0.902778 |
63 | CA0 | 0.454545 | 0.831169 |
64 | AU1 | 0.454545 | 0.855263 |
65 | M33 | 0.454545 | 0.842105 |
66 | 2FD | 0.45 | 0.802632 |
67 | KG4 | 0.449438 | 0.831169 |
68 | ACP | 0.449438 | 0.88 |
69 | 50T | 0.449438 | 0.866667 |
70 | 25A | 0.447917 | 0.878378 |
71 | 7D7 | 0.445946 | 0.753425 |
72 | ACQ | 0.445652 | 0.88 |
73 | T99 | 0.445652 | 0.844156 |
74 | TAT | 0.445652 | 0.844156 |
75 | APR | 0.444444 | 0.853333 |
76 | AR6 | 0.444444 | 0.853333 |
77 | A1R | 0.443299 | 0.894737 |
78 | A3R | 0.443299 | 0.894737 |
79 | ADP MG | 0.443182 | 0.851351 |
80 | ADP BEF | 0.443182 | 0.851351 |
81 | RAB | 0.44 | 0.756757 |
82 | ADN | 0.44 | 0.756757 |
83 | XYA | 0.44 | 0.756757 |
84 | AD9 | 0.43956 | 0.855263 |
85 | AGS | 0.43956 | 0.833333 |
86 | ADV | 0.43956 | 0.868421 |
87 | RBY | 0.43956 | 0.868421 |
88 | CL9 | 0.4375 | 0.802632 |
89 | AV2 | 0.43617 | 0.853333 |
90 | NA7 | 0.434343 | 0.918919 |
91 | 6YZ | 0.431579 | 0.88 |
92 | ANP | 0.430108 | 0.855263 |
93 | ADS THS THS THS | 0.42735 | 0.767442 |
94 | A2R | 0.427083 | 0.866667 |
95 | HQG | 0.427083 | 0.866667 |
96 | SON | 0.426966 | 0.893333 |
97 | V2G | 0.425532 | 0.858974 |
98 | 5AL | 0.425532 | 0.842105 |
99 | 8LE | 0.425532 | 0.810127 |
100 | ANZ | 0.424528 | 0.7875 |
101 | APC MG | 0.423913 | 0.853333 |
102 | ADP PO3 | 0.423913 | 0.851351 |
103 | ATP MG | 0.423913 | 0.851351 |
104 | QA7 | 0.42268 | 0.810127 |
105 | GGZ | 0.42268 | 0.768293 |
106 | A22 | 0.42268 | 0.866667 |
107 | 3DH | 0.421687 | 0.714286 |
108 | TM1 | 0.421569 | 0.741176 |
109 | ATF | 0.421053 | 0.844156 |
110 | ALF ADP | 0.421053 | 0.7875 |
111 | ANP MG | 0.421053 | 0.842105 |
112 | BEF ADP | 0.419355 | 0.828947 |
113 | 5SV | 0.418367 | 0.835443 |
114 | ARJ | 0.417722 | 0.712329 |
115 | 8LH | 0.416667 | 0.820513 |
116 | SRP | 0.416667 | 0.868421 |
117 | DGI | 0.414894 | 0.883117 |
118 | GAP | 0.414894 | 0.807692 |
119 | KL2 | 0.414634 | 0.824324 |
120 | MTA | 0.414634 | 0.714286 |
121 | ADQ | 0.414141 | 0.831169 |
122 | 4AD | 0.414141 | 0.857143 |
123 | ZZB | 0.412281 | 0.761905 |
124 | ACK | 0.411765 | 0.847222 |
125 | QQY | 0.411765 | 0.802632 |
126 | LMS | 0.411765 | 0.75 |
127 | FYA | 0.411765 | 0.917808 |
128 | PTJ | 0.411765 | 0.8125 |
129 | NB8 | 0.411765 | 0.835443 |
130 | 5N5 | 0.410256 | 0.733333 |
131 | DLL | 0.41 | 0.842105 |
132 | MAP | 0.408163 | 0.833333 |
133 | 8LQ | 0.408163 | 0.844156 |
134 | CC5 | 0.407895 | 0.777778 |
135 | VO4 ADP | 0.40625 | 0.855263 |
136 | 3UK | 0.405941 | 0.831169 |
137 | NWW | 0.405063 | 0.69863 |
138 | A4D | 0.405063 | 0.733333 |
139 | 5CD | 0.405063 | 0.743243 |
140 | 9ZA | 0.40404 | 0.822785 |
141 | 8QN | 0.40404 | 0.842105 |
142 | 9ZD | 0.40404 | 0.822785 |
143 | OOB | 0.40404 | 0.842105 |
144 | OZV | 0.40404 | 0.853333 |
145 | 9SN | 0.403846 | 0.790123 |
146 | DTA | 0.402439 | 0.75 |
147 | A3G | 0.402299 | 0.763158 |
148 | NEC | 0.402299 | 0.688312 |
149 | 2VA | 0.402174 | 0.717949 |
150 | 5X8 | 0.402174 | 0.75 |
151 | B5V | 0.401961 | 0.820513 |
152 | PR8 | 0.401961 | 0.860759 |
153 | WAQ | 0.401961 | 0.87013 |
154 | AMO | 0.4 | 0.868421 |
155 | AFX | 0.4 | 0.625 |
156 | 5AS | 0.4 | 0.727273 |
157 | PAJ | 0.4 | 0.780488 |
158 | QQX | 0.4 | 0.792208 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DGP | 1 | 1 |
2 | DG | 1 | 1 |
3 | DGI | 0.815789 | 0.986842 |
4 | DGT | 0.775 | 0.986842 |
5 | DI | 0.62963 | 0.973333 |
6 | 5GP | 0.60241 | 0.922078 |
7 | G | 0.60241 | 0.922078 |
8 | CGP | 0.596154 | 0.925926 |
9 | GDP | 0.516484 | 0.910256 |
10 | GH3 | 0.515789 | 0.935065 |
11 | DA | 0.511905 | 0.894737 |
12 | D5M | 0.511905 | 0.894737 |
13 | 3GP | 0.505747 | 0.909091 |
14 | 2GP | 0.505747 | 0.922078 |
15 | GP3 | 0.505495 | 0.8875 |
16 | G3D | 0.505263 | 0.922078 |
17 | GTP | 0.5 | 0.910256 |
18 | GP2 | 0.5 | 0.924051 |
19 | G4P | 0.494845 | 0.922078 |
20 | GNH | 0.494624 | 0.898734 |
21 | P2G | 0.494382 | 0.871795 |
22 | G2P | 0.489583 | 0.924051 |
23 | GMP | 0.487805 | 0.797468 |
24 | GMV | 0.484211 | 0.8875 |
25 | ALF 5GP | 0.484211 | 0.833333 |
26 | P1G | 0.483516 | 0.884615 |
27 | G2R | 0.48 | 0.948718 |
28 | GAV | 0.479592 | 0.876543 |
29 | GCP | 0.479167 | 0.911392 |
30 | G1R | 0.479167 | 0.898734 |
31 | 6OG | 0.477778 | 0.886076 |
32 | 0O2 | 0.475248 | 0.922078 |
33 | GSP | 0.474227 | 0.865854 |
34 | 9GM | 0.474227 | 0.8875 |
35 | GNP | 0.474227 | 0.8875 |
36 | 3PD UM3 | 0.473214 | 0.878049 |
37 | DOI | 0.47191 | 0.87013 |
38 | 6MA | 0.47191 | 0.858974 |
39 | GDP BEF | 0.463918 | 0.875 |
40 | GPG | 0.460784 | 0.876543 |
41 | GPX | 0.46 | 0.909091 |
42 | GTP MG | 0.459184 | 0.897436 |
43 | GDP ALF | 0.455446 | 0.833333 |
44 | 3ZE | 0.451613 | 0.897436 |
45 | CF2 | 0.451613 | 0.811765 |
46 | GPD | 0.449541 | 0.890244 |
47 | GDC | 0.443396 | 0.876543 |
48 | GKE | 0.443396 | 0.876543 |
49 | Y9Z | 0.443396 | 0.869048 |
50 | GDD | 0.443396 | 0.876543 |
51 | GDP AF3 | 0.441176 | 0.833333 |
52 | G3A | 0.435185 | 0.8875 |
53 | YGP | 0.433962 | 0.845238 |
54 | KB7 | 0.43299 | 0.795181 |
55 | G5P | 0.431193 | 0.8875 |
56 | SGP | 0.430108 | 0.817073 |
57 | JB2 | 0.427273 | 0.876543 |
58 | GTG | 0.425926 | 0.855422 |
59 | GFB | 0.425926 | 0.876543 |
60 | GDR | 0.425926 | 0.876543 |
61 | DAT | 0.425532 | 0.896104 |
62 | 6CK | 0.422018 | 0.855422 |
63 | DZ4 | 0.418367 | 0.873418 |
64 | GKD | 0.414414 | 0.876543 |
65 | DU DU DU DU BRU DG DU | 0.414062 | 0.827586 |
66 | BGO | 0.413793 | 0.865854 |
67 | U2G | 0.413793 | 0.855422 |
68 | GDX | 0.410714 | 0.8875 |
69 | DTP | 0.408163 | 0.896104 |
70 | CG2 | 0.40678 | 0.855422 |
71 | AS | 0.406593 | 0.85 |
72 | KBD | 0.40566 | 0.795181 |
73 | GDP 7MG | 0.405405 | 0.853659 |
74 | JB3 | 0.405172 | 0.865854 |
75 | UCG | 0.404762 | 0.876543 |
76 | 8OG | 0.404255 | 0.855422 |
77 | FEG | 0.401709 | 0.869048 |
78 | NGD | 0.401709 | 0.876543 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMP | 0.9634 |
2 | TMP | 0.9583 |
3 | FMP | 0.9577 |
4 | UMP | 0.9576 |
5 | 8OP | 0.9562 |
6 | 5GP | 0.9551 |
7 | NYM | 0.9518 |
8 | G | 0.9516 |
9 | UFP | 0.9510 |
10 | 9L3 | 0.9489 |
11 | QBT | 0.9476 |
12 | IRP | 0.9460 |
13 | BRU | 0.9453 |
14 | 8OG | 0.9448 |
15 | 5CM | 0.9409 |
16 | 6MZ | 0.9405 |
17 | 5FU | 0.9395 |
18 | C2R | 0.9394 |
19 | C | 0.9391 |
20 | PFU | 0.9381 |
21 | 71V | 0.9370 |
22 | 8GM | 0.9355 |
23 | XMP | 0.9353 |
24 | EO7 | 0.9345 |
25 | 5IU | 0.9342 |
26 | FDM | 0.9341 |
27 | DCM | 0.9338 |
28 | 5HU | 0.9316 |
29 | U5P | 0.9307 |
30 | FNU | 0.9306 |
31 | 5BU | 0.9299 |
32 | G7M | 0.9294 |
33 | AMZ | 0.9290 |
34 | NIA | 0.9284 |
35 | DU | 0.9275 |
36 | AOC | 0.9274 |
37 | BMP | 0.9248 |
38 | UMC | 0.9232 |
39 | IMU | 0.9231 |
40 | A3N | 0.9231 |
41 | U | 0.9223 |
42 | DUS | 0.9220 |
43 | 8BR | 0.9216 |
44 | C5P | 0.9216 |
45 | UP6 | 0.9213 |
46 | ZAS | 0.9205 |
47 | N5O | 0.9200 |
48 | BMQ | 0.9197 |
49 | CNU | 0.9187 |
50 | H2U | 0.9186 |
51 | DC | 0.9171 |
52 | T3S | 0.9163 |
53 | NCN | 0.9157 |
54 | 2DT | 0.9143 |
55 | TKW | 0.9117 |
56 | RVP | 0.9108 |
57 | NUP | 0.9107 |
58 | D4M | 0.9105 |
59 | 4X2 | 0.9095 |
60 | 93A | 0.9084 |
61 | CH | 0.9072 |
62 | FN5 | 0.9072 |
63 | S5P | 0.9071 |
64 | DDN | 0.9064 |
65 | CAR | 0.9057 |
66 | 5HM | 0.9057 |
67 | PSU | 0.9033 |
68 | MZP | 0.9027 |
69 | NMN | 0.9008 |
70 | MTH | 0.8986 |
71 | 16B | 0.8984 |
72 | U6M | 0.8960 |
73 | DOC | 0.8953 |
74 | ATM | 0.8951 |
75 | NWQ | 0.8933 |
76 | 6RE | 0.8912 |
77 | JLN | 0.8904 |
78 | J7C | 0.8895 |
79 | EP4 | 0.8872 |
80 | TXS | 0.8862 |
81 | BVP | 0.8861 |
82 | 6CN | 0.8857 |
83 | FAI | 0.8847 |
84 | 460 | 0.8833 |
85 | KB7 | 0.8826 |
86 | SNP | 0.8803 |
87 | FMC | 0.8782 |
88 | MCF | 0.8753 |
89 | MTE | 0.8753 |
90 | MTM | 0.8657 |
91 | CLM | 0.8655 |
92 | NOS | 0.8647 |
93 | IMH | 0.8641 |
94 | JFX | 0.8606 |
95 | AIR | 0.8588 |
96 | SNI | 0.8560 |
97 | BRX | 0.8527 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMU | 0.9717 |
2 | XMP | 0.9715 |
3 | 71V | 0.9688 |
4 | AMP | 0.9620 |
5 | G7M | 0.9564 |
6 | IMP | 0.9534 |
7 | IRP | 0.9460 |
8 | AMP MG | 0.9432 |
9 | BRU | 0.9428 |
10 | TMP | 0.9399 |
11 | 5CM | 0.9389 |
12 | 8BR | 0.9361 |
13 | 6CG | 0.9338 |
14 | UFP | 0.9327 |
15 | FMP | 0.9326 |
16 | 93A | 0.9293 |
17 | 6MZ | 0.9276 |
18 | EO7 | 0.9226 |
19 | FDM | 0.9223 |
20 | JLN | 0.9218 |
21 | 5IU | 0.9217 |
22 | 8OP | 0.9208 |
23 | 5HU | 0.9197 |
24 | PCG | 0.9192 |
25 | 8GM | 0.9185 |
26 | 7D5 | 0.9173 |
27 | 45A | 0.9160 |
28 | ZAS | 0.9159 |
29 | UMP | 0.9149 |
30 | U5P | 0.9142 |
31 | QBT | 0.9139 |
32 | LMS | 0.9131 |
33 | AOC | 0.9120 |
34 | 5FU | 0.9112 |
35 | Z8B | 0.9109 |
36 | CNU | 0.9109 |
37 | 5BU | 0.9107 |
38 | ABM | 0.9093 |
39 | NMN | 0.9085 |
40 | 9L3 | 0.9061 |
41 | C2R | 0.9054 |
42 | MTA | 0.9052 |
43 | DCM | 0.9027 |
44 | A3N | 0.9016 |
45 | 4X2 | 0.9011 |
46 | C | 0.8994 |
47 | GNG | 0.8993 |
48 | SRA | 0.8992 |
49 | BMQ | 0.8988 |
50 | PFU | 0.8986 |
51 | 5HM | 0.8982 |
52 | N5O | 0.8980 |
53 | NYM | 0.8978 |
54 | NEC | 0.8965 |
55 | AMZ | 0.8964 |
56 | CL9 | 0.8958 |
57 | NIA | 0.8956 |
58 | DU | 0.8948 |
59 | MCF | 0.8947 |
60 | 6RE | 0.8940 |
61 | J7C | 0.8940 |
62 | 2DT | 0.8935 |
63 | DUS | 0.8931 |
64 | TKW | 0.8930 |
65 | BMP | 0.8920 |
66 | NWQ | 0.8906 |
67 | C5P | 0.8904 |
68 | 35G | 0.8903 |
69 | SSI | 0.8902 |
70 | EP4 | 0.8900 |
71 | BVP | 0.8897 |
72 | D4M | 0.8896 |
73 | H2U | 0.8886 |
74 | 2FA | 0.8880 |
75 | UP6 | 0.8877 |
76 | 3DH | 0.8869 |
77 | 8HG | 0.8867 |
78 | FNU | 0.8863 |
79 | NCN | 0.8859 |
80 | O8M | 0.8833 |
81 | 6U5 | 0.8821 |
82 | U | 0.8810 |
83 | 13A | 0.8799 |
84 | 100 | 0.8795 |
85 | DSH | 0.8791 |
86 | 16B | 0.8791 |
87 | CA0 | 0.8785 |
88 | SNP | 0.8778 |
89 | 103 | 0.8774 |
90 | 581 | 0.8765 |
91 | 43H | 0.8762 |
92 | 3Q1 | 0.8762 |
93 | 3D1 | 0.8761 |
94 | ATM | 0.8761 |
95 | MG7 | 0.8759 |
96 | 4UO | 0.8756 |
97 | KG4 | 0.8754 |
98 | JFX | 0.8752 |
99 | ADP | 0.8750 |
100 | DDN | 0.8731 |
101 | PWH | 0.8722 |
102 | ADN | 0.8717 |
103 | A4D | 0.8714 |
104 | 5CD | 0.8713 |
105 | 3F5 | 0.8713 |
106 | TZY | 0.8709 |
107 | UMC | 0.8694 |
108 | DC | 0.8690 |
109 | PRX | 0.8686 |
110 | FMC | 0.8685 |
111 | M33 | 0.8681 |
112 | CAR | 0.8676 |
113 | M7G | 0.8667 |
114 | NWW | 0.8659 |
115 | 5N5 | 0.8657 |
116 | TXS | 0.8650 |
117 | PRH | 0.8648 |
118 | ADX | 0.8645 |
119 | RVP | 0.8642 |
120 | NOS | 0.8625 |
121 | T21 | 0.8605 |
122 | 75G | 0.8599 |
123 | A3P | 0.8587 |
124 | 0JB | 0.8583 |
125 | A3S | 0.8581 |
126 | FN5 | 0.8574 |
127 | JP3 | 0.8566 |
128 | M8Q | 0.8562 |
129 | 101 | 0.8557 |
130 | ZX8 | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 1ucn.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1ucn.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1ucn.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1ucn.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1ucn.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1ucn.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |