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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 426 families. | |||||
1 | 3RO7 | - | TDR | C5 H6 N2 O2 | CC1=CNC(=O.... |
2 | 3ROG | - | T3P | C10 H15 N2 O8 P | CC1=CN(C(=.... |
3 | 3ROX | - | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
4 | 3RNO | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 3RO7 | - | TDR | C5 H6 N2 O2 | CC1=CNC(=O.... |
2 | 3ROG | - | T3P | C10 H15 N2 O8 P | CC1=CN(C(=.... |
3 | 3ROX | - | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
4 | 3RNO | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | T3P | 1 | 1 |
2 | THP | 0.753846 | 0.971014 |
3 | LLT | 0.629032 | 0.84507 |
4 | THM | 0.629032 | 0.84507 |
5 | TMP | 0.6 | 0.957143 |
6 | UM3 | 0.573529 | 0.955882 |
7 | FDM | 0.569444 | 0.917808 |
8 | NYM | 0.569444 | 0.930556 |
9 | 0DN | 0.560606 | 0.805556 |
10 | TYD | 0.56 | 0.943662 |
11 | ATY | 0.556962 | 0.917808 |
12 | AZZ | 0.549296 | 0.824324 |
13 | TBD | 0.545455 | 0.905405 |
14 | TTP | 0.531646 | 0.943662 |
15 | ATM | 0.525641 | 0.893333 |
16 | AZD | 0.506024 | 0.881579 |
17 | 2DT | 0.5 | 0.957143 |
18 | TXS | 0.5 | 0.763158 |
19 | TTP MG | 0.487805 | 0.915493 |
20 | T3S | 0.486842 | 0.763158 |
21 | DAU | 0.483516 | 0.905405 |
22 | TPE | 0.483516 | 0.868421 |
23 | 3DR DT DT DT DT DT | 0.479167 | 0.878378 |
24 | TLO | 0.477273 | 0.891892 |
25 | 9RC | 0.47191 | 0.804878 |
26 | 3YN | 0.462366 | 0.88 |
27 | 18T | 0.456522 | 0.88 |
28 | 1JB | 0.456522 | 0.88 |
29 | TRH | 0.456522 | 0.88 |
30 | 3R2 | 0.456522 | 0.868421 |
31 | TDX | 0.456522 | 0.891892 |
32 | ABT | 0.455556 | 0.858974 |
33 | D3T | 0.451219 | 0.943662 |
34 | DWN | 0.446809 | 0.857143 |
35 | T3Q | 0.446809 | 0.857143 |
36 | T3F | 0.446809 | 0.857143 |
37 | 0N2 | 0.442105 | 0.846154 |
38 | T46 | 0.442105 | 0.88 |
39 | 0FX | 0.4375 | 0.857143 |
40 | MMF | 0.4375 | 0.857143 |
41 | DT ME6 DT | 0.428571 | 0.844156 |
42 | QDM | 0.428571 | 0.846154 |
43 | ADS THS THS THS | 0.428571 | 0.755814 |
44 | FNF | 0.424242 | 0.868421 |
45 | JHZ | 0.424242 | 0.835443 |
46 | AKM | 0.424242 | 0.8375 |
47 | 1YF | 0.424242 | 0.868421 |
48 | DPB | 0.423529 | 0.902778 |
49 | PAX | 0.422414 | 0.82716 |
50 | 4TG | 0.42 | 0.868421 |
51 | 5HU | 0.417722 | 0.943662 |
52 | D4M | 0.410256 | 0.913043 |
53 | UFP | 0.405063 | 0.878378 |
54 | 0BT | 0.404494 | 0.855263 |
55 | WMJ | 0.402174 | 0.738095 |
56 | BRU | 0.4 | 0.878378 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | U3P | 0.9522 |
2 | 101 | 0.9498 |
3 | C3P | 0.9417 |
4 | UA3 | 0.9279 |
5 | 103 | 0.9245 |
6 | 3AM | 0.9189 |
7 | UMF | 0.9161 |
8 | A3G | 0.9156 |
9 | 3GP | 0.9095 |
10 | ACK | 0.9095 |
11 | QQX | 0.9039 |
12 | U2P | 0.9038 |
13 | UVC | 0.9003 |
14 | C2P | 0.8995 |
15 | SGP | 0.8971 |
16 | 2AM | 0.8965 |
17 | 2GP | 0.8927 |
18 | M0Y | 0.8890 |
19 | OVE | 0.8883 |
20 | IGP | 0.8869 |
21 | VM7 | 0.8863 |
22 | IAG | 0.8855 |
23 | 1FL | 0.8818 |
24 | D5M | 0.8813 |
25 | UMP | 0.8797 |
26 | G | 0.8746 |
27 | XTS | 0.8715 |
28 | BK2 | 0.8703 |
29 | 0DJ | 0.8698 |
30 | 1SF | 0.8697 |
31 | ADN | 0.8697 |
32 | AMP | 0.8690 |
33 | ZAS | 0.8685 |
34 | 4OZ | 0.8682 |
35 | GMP | 0.8675 |
36 | RVC | 0.8671 |
37 | 6MA | 0.8656 |
38 | XEV | 0.8653 |
39 | 21E | 0.8650 |
40 | M0Z | 0.8642 |
41 | Q4G | 0.8636 |
42 | MTA | 0.8635 |
43 | 5BX | 0.8633 |
44 | AQ1 | 0.8625 |
45 | 8OG | 0.8617 |
46 | Y3J | 0.8617 |
47 | PY1 | 0.8617 |
48 | MCY | 0.8607 |
49 | FX5 | 0.8605 |
50 | A3S | 0.8601 |
51 | EAE | 0.8593 |
52 | 28B | 0.8590 |
53 | 3AD | 0.8589 |
54 | 6F3 | 0.8583 |
55 | AV4 | 0.8569 |
56 | U4J | 0.8563 |
57 | Q92 | 0.8561 |
58 | C5P | 0.8561 |
59 | KWV | 0.8559 |
60 | AUV | 0.8555 |
61 | TVC | 0.8549 |
62 | ID2 | 0.8546 |
63 | AGV | 0.8542 |
64 | JMQ | 0.8542 |
65 | 7VF | 0.8542 |
66 | EZN | 0.8542 |
67 | MBY | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 3ro7.bio2) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3ro7.bio2) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3ro7.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3ro7.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 3ro7.bio3) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 3ro7.bio3) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 3ro7.bio3) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 3ro7.bio3) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 3ro7.bio3) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 3ro7.bio3) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |