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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ACR | 1 | 1 |
2 | QPS | 1 | 1 |
3 | 3SA | 0.931507 | 1 |
4 | 7SA | 0.879518 | 0.957447 |
5 | IAB | 0.744444 | 1 |
6 | ARE | 0.730337 | 1 |
7 | AAO | 0.730337 | 1 |
8 | ACG | 0.722222 | 0.956522 |
9 | ABC | 0.639175 | 0.956522 |
10 | ABD | 0.595506 | 0.854167 |
11 | 6SA | 0.586538 | 1 |
12 | QV4 | 0.578947 | 1 |
13 | GAC | 0.571429 | 0.87234 |
14 | TXT | 0.571429 | 0.87234 |
15 | ACR GLC | 0.569892 | 0.957447 |
16 | ACR GLC GLC GLC GLC | 0.569892 | 0.957447 |
17 | HSD G6D GLC HSD G6D GLC GLC | 0.534653 | 0.918367 |
18 | ACI G6D GLC ACI G6D GLC GLC | 0.534653 | 0.918367 |
19 | ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC | 0.534653 | 0.918367 |
20 | HSD G6D GLC HSD G6D GLC BGC | 0.534653 | 0.918367 |
21 | HMC AGL GLC | 0.484211 | 0.93617 |
22 | MAN BMA BMA | 0.481013 | 0.733333 |
23 | MAN BMA BMA BMA BMA | 0.481013 | 0.733333 |
24 | BGC GLC GLC | 0.481013 | 0.733333 |
25 | MAN MAN BMA BMA BMA BMA | 0.481013 | 0.733333 |
26 | MLR | 0.481013 | 0.733333 |
27 | BGC BGC BGC | 0.481013 | 0.733333 |
28 | BGC BGC BGC GLC | 0.481013 | 0.733333 |
29 | BGC BGC GLC | 0.481013 | 0.733333 |
30 | GLC BGC BGC BGC BGC | 0.481013 | 0.733333 |
31 | BMA BMA BMA BMA BMA BMA | 0.481013 | 0.733333 |
32 | GLA GAL BGC | 0.481013 | 0.733333 |
33 | CT3 | 0.481013 | 0.733333 |
34 | GLA GAL GLC | 0.481013 | 0.733333 |
35 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.481013 | 0.733333 |
36 | CE6 | 0.481013 | 0.733333 |
37 | MAN BMA BMA BMA BMA BMA | 0.481013 | 0.733333 |
38 | BGC BGC BGC BGC BGC BGC | 0.481013 | 0.733333 |
39 | CEY | 0.481013 | 0.733333 |
40 | B4G | 0.481013 | 0.733333 |
41 | BMA MAN BMA | 0.481013 | 0.733333 |
42 | GLC BGC BGC | 0.481013 | 0.733333 |
43 | MT7 | 0.481013 | 0.733333 |
44 | BGC BGC BGC BGC BGC | 0.481013 | 0.733333 |
45 | GLC GLC BGC | 0.481013 | 0.733333 |
46 | CTT | 0.481013 | 0.733333 |
47 | BGC GLC GLC GLC | 0.481013 | 0.733333 |
48 | GLC BGC BGC BGC | 0.481013 | 0.733333 |
49 | CEX | 0.481013 | 0.733333 |
50 | GLC GLC GLC GLC GLC | 0.481013 | 0.733333 |
51 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.481013 | 0.733333 |
52 | BGC GLC GLC GLC GLC | 0.481013 | 0.733333 |
53 | CE8 | 0.481013 | 0.733333 |
54 | GLC BGC GLC | 0.481013 | 0.733333 |
55 | GAL GAL GAL | 0.481013 | 0.733333 |
56 | BGC GLC GLC GLC GLC GLC GLC | 0.481013 | 0.733333 |
57 | BMA BMA BMA | 0.481013 | 0.733333 |
58 | BGC BGC BGC BGC | 0.481013 | 0.733333 |
59 | CE5 | 0.481013 | 0.733333 |
60 | BMA BMA BMA BMA BMA | 0.481013 | 0.733333 |
61 | MTT | 0.481013 | 0.733333 |
62 | CTR | 0.481013 | 0.733333 |
63 | GLC BGC BGC BGC BGC BGC | 0.481013 | 0.733333 |
64 | DXI | 0.481013 | 0.733333 |
65 | GLC GAL GAL | 0.481013 | 0.733333 |
66 | ACR GLC GLC GLC | 0.480769 | 0.957447 |
67 | GLC GLC ACI G6D GLC GLC | 0.480769 | 0.957447 |
68 | GLC GLC DAF BGC | 0.480769 | 0.957447 |
69 | GLC GLC AGL HMC GLC | 0.480769 | 0.957447 |
70 | G6D GLC ACI GLD GLC ACI GLD GLC BGC | 0.480769 | 0.897959 |
71 | BGC GLC DAF GLC GLC GLC DAF | 0.477477 | 0.882353 |
72 | NGA GAL BGC | 0.461538 | 0.836735 |
73 | AGL GLC HMC AGL GLC BGC | 0.457944 | 0.897959 |
74 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.448276 | 0.733333 |
75 | BMA BMA BMA BMA | 0.448276 | 0.695652 |
76 | GLC ACI GLD GAL | 0.442308 | 0.957447 |
77 | GLC ACI G6D GLC | 0.442308 | 0.957447 |
78 | NGA GLA GAL BGC | 0.434343 | 0.836735 |
79 | MAB | 0.43038 | 0.733333 |
80 | MAL | 0.43038 | 0.733333 |
81 | GLA GLA | 0.43038 | 0.733333 |
82 | CBK | 0.43038 | 0.733333 |
83 | LAT | 0.43038 | 0.733333 |
84 | CBI | 0.43038 | 0.733333 |
85 | BGC BMA | 0.43038 | 0.733333 |
86 | BMA GAL | 0.43038 | 0.733333 |
87 | N9S | 0.43038 | 0.733333 |
88 | LBT | 0.43038 | 0.733333 |
89 | BGC GAL | 0.43038 | 0.733333 |
90 | GLC GAL | 0.43038 | 0.733333 |
91 | B2G | 0.43038 | 0.733333 |
92 | GAL BGC | 0.43038 | 0.733333 |
93 | GLA GAL | 0.43038 | 0.733333 |
94 | BMA BMA GLA BMA BMA | 0.423913 | 0.733333 |
95 | FUC GAL GLC | 0.422222 | 0.755556 |
96 | LAT FUC | 0.422222 | 0.755556 |
97 | 8B7 | 0.422222 | 0.755556 |
98 | GLC GAL FUC | 0.422222 | 0.755556 |
99 | BGC GAL FUC | 0.422222 | 0.755556 |
100 | DAF GLC GLC | 0.42 | 0.836735 |
101 | ACI GLD GLC GAL | 0.42 | 0.836735 |
102 | DAF BGC GLC | 0.42 | 0.836735 |
103 | GAL NGA GLA BGC GAL | 0.415842 | 0.836735 |
104 | GLC GLC GLC BGC | 0.413043 | 0.733333 |
105 | GLA GAL GAL | 0.402299 | 0.733333 |
106 | GLC GLC G6D ACI GLC GLC GLC | 0.401869 | 0.836735 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G6D GLC ACI GLD GLC ACI GLD GLC BGC | 1 | 1 |
2 | GLC GLC DAF BGC | 0.883721 | 0.938776 |
3 | GLC GLC AGL HMC GLC | 0.883721 | 0.938776 |
4 | ACR GLC GLC GLC | 0.883721 | 0.938776 |
5 | GLC GLC ACI G6D GLC GLC | 0.883721 | 0.938776 |
6 | GLC ACI GLD GAL | 0.837209 | 0.938776 |
7 | GLC ACI G6D GLC | 0.837209 | 0.938776 |
8 | HSD G6D GLC HSD G6D GLC GLC | 0.831461 | 0.979592 |
9 | ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC | 0.831461 | 0.979592 |
10 | HSD G6D GLC HSD G6D GLC BGC | 0.831461 | 0.979592 |
11 | ACI G6D GLC ACI G6D GLC GLC | 0.831461 | 0.979592 |
12 | AGL GLC HMC AGL GLC BGC | 0.822222 | 1 |
13 | ACR GLC GLC GLC GLC | 0.730337 | 0.938776 |
14 | ACR GLC | 0.730337 | 0.938776 |
15 | BGC GLC DAF GLC GLC GLC DAF | 0.607477 | 0.941176 |
16 | ACG | 0.598039 | 0.9375 |
17 | ACI GLD GLC GAL | 0.546392 | 0.823529 |
18 | DAF BGC GLC | 0.546392 | 0.823529 |
19 | DAF GLC GLC | 0.546392 | 0.823529 |
20 | ABC | 0.53211 | 0.9375 |
21 | AAO | 0.528302 | 0.897959 |
22 | ARE | 0.528302 | 0.897959 |
23 | GLC GLC G6D ACI GLC GLC GLC | 0.519231 | 0.823529 |
24 | 7SA | 0.518519 | 0.938776 |
25 | GLC GAL FUC | 0.511111 | 0.673469 |
26 | 8B7 | 0.511111 | 0.673469 |
27 | LAT FUC | 0.511111 | 0.673469 |
28 | BGC GAL FUC | 0.511111 | 0.673469 |
29 | FUC GAL GLC | 0.511111 | 0.673469 |
30 | ACI GLD GLC GLC GLC ACI GLD GLC GAL | 0.504762 | 0.862745 |
31 | ACI GLD GLC ACI G6D BGC | 0.504762 | 0.862745 |
32 | AC1 GLC AC1 BGC | 0.504762 | 0.862745 |
33 | DAF GLC DAF GLC GLC | 0.504762 | 0.862745 |
34 | BGC GLC AC1 GLC GLC GLC AC1 | 0.504762 | 0.862745 |
35 | ACI G6D GLC ACI G6D BGC | 0.504762 | 0.862745 |
36 | DAF GLC | 0.494845 | 0.823529 |
37 | DAF BGC | 0.494845 | 0.823529 |
38 | GLC ACI GLD GLC | 0.480769 | 0.823529 |
39 | ACR | 0.480769 | 0.897959 |
40 | GLC G6D ACI GLC | 0.480769 | 0.823529 |
41 | GLC G6D ADH GLC | 0.480769 | 0.823529 |
42 | GLC ACI G6D BGC | 0.480769 | 0.823529 |
43 | QPS | 0.480769 | 0.897959 |
44 | QV4 | 0.462963 | 0.897959 |
45 | BGC GLA GAL FUC | 0.454545 | 0.673469 |
46 | MAN MAN BMA BMA BMA BMA | 0.453488 | 0.653061 |
47 | BGC BGC BGC BGC BGC | 0.453488 | 0.653061 |
48 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.453488 | 0.653061 |
49 | CT3 | 0.453488 | 0.653061 |
50 | GLC BGC BGC BGC BGC | 0.453488 | 0.653061 |
51 | GLA GAL GLC | 0.453488 | 0.653061 |
52 | GLA GAL BGC | 0.453488 | 0.653061 |
53 | BGC GLC GLC | 0.453488 | 0.653061 |
54 | GLC BGC BGC BGC BGC BGC | 0.453488 | 0.653061 |
55 | BMA BMA BMA BMA BMA BMA | 0.453488 | 0.653061 |
56 | GLC BGC BGC | 0.453488 | 0.653061 |
57 | MT7 | 0.453488 | 0.653061 |
58 | B4G | 0.453488 | 0.653061 |
59 | GLC GLC BGC | 0.453488 | 0.653061 |
60 | BMA MAN BMA | 0.453488 | 0.653061 |
61 | CEY | 0.453488 | 0.653061 |
62 | BGC BGC BGC BGC BGC BGC | 0.453488 | 0.653061 |
63 | CE6 | 0.453488 | 0.653061 |
64 | CTT | 0.453488 | 0.653061 |
65 | BGC GLC GLC GLC | 0.453488 | 0.653061 |
66 | BGC BGC GLC | 0.453488 | 0.653061 |
67 | CEX | 0.453488 | 0.653061 |
68 | GLC GLC GLC GLC GLC | 0.453488 | 0.653061 |
69 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.453488 | 0.653061 |
70 | CTR | 0.453488 | 0.653061 |
71 | DXI | 0.453488 | 0.653061 |
72 | BGC GLC GLC GLC GLC | 0.453488 | 0.653061 |
73 | GLC BGC GLC | 0.453488 | 0.653061 |
74 | GAL GAL GAL | 0.453488 | 0.653061 |
75 | BGC GLC GLC GLC GLC GLC GLC | 0.453488 | 0.653061 |
76 | CE5 | 0.453488 | 0.653061 |
77 | BGC BGC BGC BGC | 0.453488 | 0.653061 |
78 | GLC GAL GAL | 0.453488 | 0.653061 |
79 | BMA BMA BMA BMA BMA | 0.453488 | 0.653061 |
80 | MLR | 0.453488 | 0.653061 |
81 | CE8 | 0.453488 | 0.653061 |
82 | MAN BMA BMA | 0.453488 | 0.653061 |
83 | MAN BMA BMA BMA BMA BMA | 0.453488 | 0.653061 |
84 | BGC BGC BGC GLC | 0.453488 | 0.653061 |
85 | MTT | 0.453488 | 0.653061 |
86 | BGC BGC BGC | 0.453488 | 0.653061 |
87 | MAN BMA BMA BMA BMA | 0.453488 | 0.653061 |
88 | GLC BGC BGC BGC | 0.453488 | 0.653061 |
89 | BMA BMA BMA | 0.453488 | 0.653061 |
90 | 6SA | 0.441667 | 0.897959 |
91 | 3SA | 0.432692 | 0.897959 |
92 | BMA BMA BMA BMA | 0.425532 | 0.653061 |
93 | GAL GLC NAG GAL FUC | 0.415929 | 0.773585 |
94 | GLC NAG GAL GAL FUC | 0.415929 | 0.773585 |
95 | FUC GAL NAG GAL BGC | 0.415929 | 0.773585 |
96 | ABD | 0.415094 | 0.769231 |
97 | GAC | 0.411215 | 0.784314 |
98 | TXT | 0.411215 | 0.784314 |
99 | FUC BGC GAL | 0.410526 | 0.673469 |
100 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.410526 | 0.653061 |
101 | NGA GAL BGC | 0.41 | 0.754717 |
102 | BGC GAL | 0.406977 | 0.653061 |
103 | N9S | 0.406977 | 0.653061 |
104 | GLA GLA | 0.406977 | 0.653061 |
105 | GAL BGC | 0.406977 | 0.653061 |
106 | GLA GAL | 0.406977 | 0.653061 |
107 | MAL | 0.406977 | 0.653061 |
108 | BMA GAL | 0.406977 | 0.653061 |
109 | LBT | 0.406977 | 0.653061 |
110 | GLC GAL | 0.406977 | 0.653061 |
111 | CBI | 0.406977 | 0.653061 |
112 | LAT | 0.406977 | 0.653061 |
113 | BGC BMA | 0.406977 | 0.653061 |
114 | CBK | 0.406977 | 0.653061 |
115 | B2G | 0.406977 | 0.653061 |
116 | MAB | 0.406977 | 0.653061 |
117 | HMC AGL GLC | 0.40566 | 0.843137 |
118 | A2G GAL BGC FUC | 0.401786 | 0.773585 |
119 | GLC GAL NAG GAL FUC FUC | 0.401709 | 0.792453 |
120 | BGC GAL NAG GAL FUC FUC | 0.401709 | 0.792453 |
This union binding pocket(no: 1) in the query (biounit: 3bc9.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2DVZ | GLU | 1.91083 |
2 | 1GJW | MAL | 2.17028 |
3 | 4R5E | AO3 | 2.29885 |
4 | 5W3Y | ACO | 2.55682 |
5 | 2EB5 | OXL | 2.99625 |
6 | 4J51 | N75 | 3.06748 |
7 | 2FHF | GLC GLC GLC GLC | 3.17195 |
8 | 2GDV | BGC | 4.36508 |
9 | 4NAE | 1GP | 4.44444 |
10 | 3W5N | RAM | 4.50751 |
11 | 3EDF | CE6 | 4.67446 |
12 | 3EDF | ACX | 4.67446 |
13 | 4C2C | ALA ALA ALA | 4.70852 |
14 | 1FLJ | GSH | 5 |
15 | 1UAS | GLA | 6.62983 |
16 | 6BS6 | GLC GLC GLC GLC GLC GLC GLC | 6.6778 |
17 | 6BS6 | GLC GLC GLC GLC | 6.6778 |
18 | 4HPH | SUC | 6.79785 |
19 | 3G2Y | GF4 | 6.84411 |
20 | 4Z7X | 3CX | 7.14286 |
21 | 2PWG | CTS | 7.73381 |
22 | 1ESW | ACR | 7.8 |
23 | 5JBE | GLC GLC GLC GLC GLC | 8.34725 |
24 | 4TVD | BGC | 8.34725 |
25 | 1JG9 | GLC | 8.51419 |
26 | 3GBE | NOJ | 11.4695 |
27 | 3MBC | NAP | 11.5192 |
28 | 3KLL | MAL | 11.9346 |
29 | 5NC9 | 8SZ | 12.9555 |
30 | 3UER | TUR | 13.0217 |
31 | 3UER | BTU | 13.0217 |
32 | 3CZG | GLC | 13.3556 |
33 | 3AXI | GLC | 14.2615 |
34 | 3WY2 | BGC | 14.4981 |
35 | 5WCZ | NOJ | 14.6758 |
36 | 5DO8 | BGC | 14.955 |
37 | 5BRP | PNG | 15.493 |
38 | 5N1P | 8GK | 15.534 |
39 | 5ZCE | MTT | 16.2162 |
40 | 1VB9 | GLC GLC GLC GLC GLC GLC | 18.9744 |
41 | 1J0I | GLC GLC GLC | 20.9184 |
42 | 1UKQ | GLC ACI G6D GLC | 22.7045 |
43 | 2CXG | GLC G6D ACI GLC | 23.0384 |
44 | 3BMW | GLC GLC G6D ACI GLC GLC GLC | 23.0384 |
45 | 2ZID | GLC GLC GLC | 23.7569 |
46 | 6A0J | GLC GLC GLC GLC | 24.4161 |
47 | 8CGT | TM6 | 24.5409 |
48 | 3VM7 | GLC | 26.0163 |
49 | 1LWJ | ACG | 28.5714 |
50 | 1QHO | ABD | 31.2187 |
51 | 1JDC | GLC GLC GLC GLC | 36.8298 |
This union binding pocket(no: 2) in the query (biounit: 3bc9.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5AHM | IMP | 1.5 |
2 | 2VVM | FAD | 1.61616 |
3 | 2VVL | FAD | 1.61616 |
4 | 3NKS | FAD | 1.67715 |
5 | 1YY5 | FAD | 1.94932 |
6 | 4X3R | 686 | 2.33723 |
7 | 5ZBC | FAD | 3.10421 |
8 | 3QJ4 | FAD | 3.21637 |
9 | 5G3U | FDA | 3.30969 |
10 | 5G3U | ITW | 3.30969 |
11 | 2IVD | FAD | 3.34728 |
12 | 1DKU | AP2 | 3.78549 |
13 | 3R4S | SIA | 4.06321 |
14 | 4Z87 | 5GP | 4.57143 |
15 | 1H74 | ADP | 4.72973 |
16 | 1M7G | ADX | 5.21327 |
17 | 2D0V | PQQ | 5.55556 |
18 | 4Z0G | 5GP | 5.81114 |
19 | 4IXH | IMP | 7.75623 |
20 | 2C6Q | IMP | 7.97721 |
21 | 1VKF | CIT | 10.6383 |