- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 277 families. | |||||
1 | 4NV1 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 4NV1 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
2 | 4YFY | - | 0FX | C16 H27 N3 O14 P2 | C[C@@H]1[C.... |
3 | 6V33 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
4 | 5VYQ | - | FON | C20 H23 N7 O7 | c1cc(ccc1C.... |
5 | 6V2T | - | 0FX | C16 H27 N3 O14 P2 | C[C@@H]1[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0FX | 1 | 1 |
2 | T3F | 0.804348 | 1 |
3 | T3Q | 0.804348 | 1 |
4 | 1JB | 0.802198 | 0.973333 |
5 | 18T | 0.802198 | 0.973333 |
6 | TRH | 0.802198 | 0.973333 |
7 | 4TG | 0.737374 | 0.986667 |
8 | MMF | 0.731959 | 0.973684 |
9 | DAU | 0.71875 | 0.947368 |
10 | QDM | 0.717172 | 0.935897 |
11 | 1YF | 0.71 | 0.986667 |
12 | FNF | 0.71 | 0.986667 |
13 | TDX | 0.708333 | 0.96 |
14 | T46 | 0.704082 | 0.973333 |
15 | 0N2 | 0.686869 | 0.986842 |
16 | DWN | 0.66 | 0.973684 |
17 | TTP | 0.659341 | 0.907895 |
18 | QUH | 0.657407 | 0.973684 |
19 | FUH | 0.657407 | 0.973684 |
20 | 3R2 | 0.656566 | 0.935065 |
21 | TYD | 0.651685 | 0.907895 |
22 | 3YN | 0.627451 | 0.947368 |
23 | JHZ | 0.613208 | 0.948718 |
24 | AKM | 0.613208 | 0.949367 |
25 | TLO | 0.6 | 0.909091 |
26 | TMP | 0.595506 | 0.894737 |
27 | T4K | 0.584 | 0.891566 |
28 | T5K | 0.584 | 0.891566 |
29 | 7SG | 0.563492 | 0.879518 |
30 | TQP | 0.563492 | 0.879518 |
31 | 9RC | 0.548077 | 0.802326 |
32 | TTP MG | 0.535354 | 0.881579 |
33 | TBD | 0.520408 | 0.873418 |
34 | T5A | 0.512397 | 0.879518 |
35 | 3DR DT DT DT DT DT | 0.495652 | 0.896104 |
36 | 0DN | 0.477778 | 0.779221 |
37 | AZD | 0.47619 | 0.851852 |
38 | LLT | 0.47191 | 0.815789 |
39 | THM | 0.47191 | 0.815789 |
40 | JB2 | 0.470588 | 0.747126 |
41 | UFP | 0.46875 | 0.825 |
42 | NYM | 0.459184 | 0.921053 |
43 | ATY | 0.457143 | 0.909091 |
44 | 5HU | 0.44898 | 0.883117 |
45 | DUT | 0.446602 | 0.868421 |
46 | ATM | 0.446602 | 0.839506 |
47 | 4TA | 0.44186 | 0.845238 |
48 | THP | 0.44 | 0.881579 |
49 | DT ME6 DT | 0.44 | 0.8625 |
50 | TXS | 0.438776 | 0.7625 |
51 | T3P | 0.4375 | 0.857143 |
52 | DUD | 0.435644 | 0.868421 |
53 | TPE | 0.434783 | 0.910256 |
54 | BRU | 0.434343 | 0.825 |
55 | D3T | 0.432692 | 0.883117 |
56 | AWU | 0.432432 | 0.893333 |
57 | FDM | 0.43 | 0.8375 |
58 | T3S | 0.43 | 0.78481 |
59 | 5IU | 0.43 | 0.825 |
60 | F5P | 0.42623 | 0.92 |
61 | UD4 | 0.42623 | 0.92 |
62 | ABT | 0.412281 | 0.831325 |
63 | DCP | 0.411215 | 0.835443 |
64 | BVP | 0.40566 | 0.858974 |
65 | UDX | 0.4 | 0.893333 |
66 | YYY | 0.4 | 0.835443 |
67 | UAD | 0.4 | 0.893333 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TYD | 1 | 1 |
2 | TTP | 0.884058 | 1 |
3 | TMP | 0.80597 | 0.985714 |
4 | TLO | 0.716049 | 0.945205 |
5 | TTP MG | 0.701299 | 0.943662 |
6 | DAU | 0.694118 | 0.932432 |
7 | 9RC | 0.686747 | 0.829268 |
8 | 1JB | 0.682353 | 0.932432 |
9 | TRH | 0.682353 | 0.932432 |
10 | 18T | 0.682353 | 0.932432 |
11 | 3R2 | 0.682353 | 0.92 |
12 | TDX | 0.682353 | 0.945205 |
13 | ATY | 0.670886 | 0.945205 |
14 | T3Q | 0.666667 | 0.907895 |
15 | DWN | 0.666667 | 0.907895 |
16 | 3YN | 0.666667 | 0.932432 |
17 | T3F | 0.666667 | 0.907895 |
18 | TBD | 0.662338 | 0.958904 |
19 | T46 | 0.659091 | 0.932432 |
20 | 0N2 | 0.659091 | 0.896104 |
21 | AZD | 0.654321 | 0.907895 |
22 | MMF | 0.651685 | 0.907895 |
23 | 0FX | 0.651685 | 0.907895 |
24 | THM | 0.641791 | 0.873239 |
25 | LLT | 0.641791 | 0.873239 |
26 | QDM | 0.637363 | 0.896104 |
27 | JHZ | 0.630435 | 0.884615 |
28 | AKM | 0.630435 | 0.886076 |
29 | FNF | 0.630435 | 0.92 |
30 | 1YF | 0.630435 | 0.92 |
31 | 4TG | 0.623656 | 0.92 |
32 | DUD | 0.61039 | 0.957143 |
33 | 0DN | 0.6 | 0.833333 |
34 | UFP | 0.6 | 0.905405 |
35 | QUH | 0.58 | 0.907895 |
36 | FUH | 0.58 | 0.907895 |
37 | T5A | 0.572816 | 0.841463 |
38 | BRU | 0.571429 | 0.905405 |
39 | 5HU | 0.571429 | 0.971831 |
40 | FDM | 0.564103 | 0.918919 |
41 | 5IU | 0.564103 | 0.905405 |
42 | NYM | 0.564103 | 0.958333 |
43 | T3P | 0.56 | 0.943662 |
44 | THP | 0.556962 | 0.971429 |
45 | ATM | 0.542169 | 0.894737 |
46 | D3T | 0.542169 | 0.971831 |
47 | DUT | 0.542169 | 0.957143 |
48 | 3DR DT DT DT DT DT | 0.540816 | 0.905405 |
49 | TXS | 0.538462 | 0.789474 |
50 | YYY | 0.536585 | 0.891892 |
51 | T3S | 0.525 | 0.789474 |
52 | BVP | 0.52381 | 0.944444 |
53 | ABT | 0.521739 | 0.884615 |
54 | D4D | 0.506024 | 0.928571 |
55 | TQP | 0.504274 | 0.864198 |
56 | 7SG | 0.504274 | 0.864198 |
57 | 2DT | 0.5 | 0.957747 |
58 | T4K | 0.5 | 0.853659 |
59 | DT ME6 DT | 0.5 | 0.87013 |
60 | T5K | 0.5 | 0.853659 |
61 | TPE | 0.5 | 0.894737 |
62 | 4TA | 0.486486 | 0.807229 |
63 | DCP | 0.477273 | 0.891892 |
64 | 8DD | 0.473118 | 0.8125 |
65 | UMP | 0.469136 | 0.942857 |
66 | AZZ | 0.469136 | 0.779221 |
67 | DU | 0.469136 | 0.942857 |
68 | 8GD | 0.467391 | 0.829268 |
69 | 5CM | 0.458824 | 0.918919 |
70 | F6G | 0.455556 | 0.855263 |
71 | WMJ | 0.452632 | 0.761905 |
72 | D4T | 0.449438 | 0.928571 |
73 | DUP | 0.449438 | 0.930556 |
74 | 6U4 | 0.447917 | 0.848101 |
75 | ADS THS THS THS | 0.444444 | 0.758621 |
76 | DDN | 0.439024 | 0.942857 |
77 | 3DT | 0.428571 | 0.835616 |
78 | UC5 | 0.425287 | 0.943662 |
79 | ID2 | 0.423077 | 0.8 |
80 | DT MA7 DT | 0.420635 | 0.797619 |
81 | 8DG | 0.418367 | 0.829268 |
82 | DUT MG | 0.417582 | 0.901408 |
83 | DUN | 0.41573 | 0.930556 |
84 | O5W | 0.411765 | 0.821429 |
85 | 5GW | 0.410526 | 0.878378 |
86 | DCM | 0.406977 | 0.878378 |
87 | DC | 0.406977 | 0.878378 |
88 | BUP | 0.402174 | 0.842105 |
89 | 74X | 0.4 | 0.732558 |
90 | D4M | 0.4 | 0.914286 |
91 | 74W | 0.4 | 0.732558 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4TG | 1 | 1 |
2 | FNF | 0.785714 | 1 |
3 | 1YF | 0.785714 | 1 |
4 | TRH | 0.768421 | 0.986486 |
5 | 18T | 0.768421 | 0.986486 |
6 | 1JB | 0.768421 | 0.986486 |
7 | 0FX | 0.737374 | 0.986667 |
8 | MMF | 0.72 | 0.986667 |
9 | T3F | 0.717172 | 0.986667 |
10 | T3Q | 0.717172 | 0.986667 |
11 | DAU | 0.69 | 0.96 |
12 | QDM | 0.68932 | 0.948052 |
13 | TDX | 0.68 | 0.972973 |
14 | T46 | 0.676471 | 0.986486 |
15 | FUH | 0.663636 | 0.986667 |
16 | QUH | 0.663636 | 0.986667 |
17 | TTP | 0.631579 | 0.92 |
18 | 3R2 | 0.631068 | 0.947368 |
19 | 0N2 | 0.628571 | 0.973684 |
20 | TYD | 0.623656 | 0.92 |
21 | 3YN | 0.619048 | 0.96 |
22 | DWN | 0.603774 | 0.960526 |
23 | T5K | 0.578125 | 0.902439 |
24 | T4K | 0.578125 | 0.902439 |
25 | TLO | 0.576923 | 0.921053 |
26 | JHZ | 0.576577 | 0.935897 |
27 | AKM | 0.576577 | 0.936709 |
28 | TQP | 0.570312 | 0.890244 |
29 | 7SG | 0.570312 | 0.890244 |
30 | TMP | 0.569892 | 0.906667 |
31 | 9RC | 0.542056 | 0.811765 |
32 | TTP MG | 0.514563 | 0.893333 |
33 | T5A | 0.496 | 0.86747 |
34 | TBD | 0.485437 | 0.884615 |
35 | 0DN | 0.473118 | 0.789474 |
36 | 3DR DT DT DT DT DT | 0.466667 | 0.907895 |
37 | AZD | 0.458716 | 0.8625 |
38 | THM | 0.451613 | 0.826667 |
39 | LLT | 0.451613 | 0.826667 |
40 | UFP | 0.45 | 0.835443 |
41 | ATY | 0.440367 | 0.921053 |
42 | F5G | 0.435484 | 0.918919 |
43 | 5HU | 0.431373 | 0.894737 |
44 | ATM | 0.429907 | 0.85 |
45 | THP | 0.423077 | 0.893333 |
46 | TPE | 0.420168 | 0.922078 |
47 | T3P | 0.42 | 0.868421 |
48 | 4TA | 0.41791 | 0.833333 |
49 | BRU | 0.417476 | 0.835443 |
50 | DUT | 0.416667 | 0.88 |
51 | D3T | 0.416667 | 0.894737 |
52 | 5IU | 0.413462 | 0.835443 |
53 | NYM | 0.413462 | 0.907895 |
54 | FDM | 0.413462 | 0.848101 |
55 | TXS | 0.407767 | 0.772152 |
56 | DUD | 0.40566 | 0.88 |
57 | DT ME6 DT | 0.40458 | 0.873418 |
58 | BVP | 0.40367 | 0.87013 |
59 | T3S | 0.4 | 0.794872 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | UDP | 0.9699 |
2 | CDP | 0.9611 |
3 | GDP | 0.9414 |
4 | CDP MG | 0.9413 |
5 | ADP | 0.9340 |
6 | DAT | 0.9300 |
7 | DGI | 0.9247 |
8 | UDP UDP | 0.9200 |
9 | ADX | 0.9182 |
10 | ADP MG | 0.9170 |
11 | M33 | 0.9169 |
12 | IDP | 0.9166 |
13 | AN2 | 0.9163 |
14 | CA0 | 0.9151 |
15 | GNH | 0.9138 |
16 | CUU | 0.9101 |
17 | AP2 | 0.9086 |
18 | A12 | 0.9086 |
19 | GCQ | 0.9079 |
20 | 0RC | 0.9061 |
21 | M7G | 0.9023 |
22 | G8D | 0.9005 |
23 | QBT | 0.8918 |
24 | FZQ | 0.8779 |
25 | 7XL | 0.8744 |
26 | DCP MG | 0.8710 |
27 | UTP | 0.8698 |
28 | C | 0.8676 |
29 | CTP | 0.8658 |
30 | C5P | 0.8626 |
31 | U5P | 0.8621 |
32 | AMP | 0.8615 |
33 | CAR | 0.8608 |
34 | 523 | 0.8608 |
35 | UP6 | 0.8582 |
36 | 9L3 | 0.8571 |
37 | 2KH | 0.8564 |
38 | H2U | 0.8554 |
39 | DOC | 0.8546 |
40 | FN5 | 0.8545 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4nv1.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4nv1.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4nv1.bio3) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4nv1.bio3) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4nv1.bio4) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4nv1.bio4) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 4nv1.bio2) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 4nv1.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |