- 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 5 families. | |||||
1 | 3EVO | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
2 | 3ELH | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
3 | 3GP9 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
4 | 3EJM | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
5 | 3FBB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
6 | 3EMT | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
7 | 3FCV | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
8 | 3EIC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
9 | 3EVM | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
10 | 3B6B | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
11 | 3FCW | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
12 | 2B8Q | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
13 | 3DKD | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
14 | 3DDI | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
15 | 3FBE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 3ETM | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
17 | 3GPA | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
18 | 3ENA | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
19 | 3EM1 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
20 | 3EE3 | - | CDP MG | n/a | n/a |
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 | YYY | 1 | 1 |
2 | DCP | 0.884058 | 1 |
3 | DC | 0.80597 | 0.985714 |
4 | DCM | 0.80597 | 0.985714 |
5 | 0KX | 0.746667 | 0.972222 |
6 | DCP MG | 0.701299 | 0.943662 |
7 | DCZ | 0.641791 | 0.847222 |
8 | LDC | 0.641791 | 0.847222 |
9 | DUD | 0.589744 | 0.929577 |
10 | CDP | 0.582278 | 0.90411 |
11 | GCQ | 0.554217 | 0.891892 |
12 | TYD | 0.536585 | 0.891892 |
13 | DCT | 0.535714 | 0.971831 |
14 | CTP | 0.52381 | 0.90411 |
15 | DUT | 0.52381 | 0.929577 |
16 | HF4 | 0.52381 | 0.90411 |
17 | GTF | 0.5 | 0.891892 |
18 | 5CM | 0.493976 | 0.945205 |
19 | DOC | 0.4875 | 0.957747 |
20 | CPA | 0.485981 | 0.85 |
21 | 8GD | 0.483516 | 0.875 |
22 | 6U4 | 0.478723 | 0.921053 |
23 | TTP | 0.477273 | 0.891892 |
24 | CGP | 0.468468 | 0.841463 |
25 | 0RC | 0.466667 | 0.881579 |
26 | 7XL | 0.466667 | 0.88 |
27 | 8DD | 0.457447 | 0.835443 |
28 | C | 0.451219 | 0.890411 |
29 | UMP | 0.451219 | 0.915493 |
30 | CAR | 0.451219 | 0.890411 |
31 | DU | 0.451219 | 0.915493 |
32 | C5P | 0.451219 | 0.890411 |
33 | CXY | 0.44898 | 0.88 |
34 | CDC | 0.447917 | 0.77381 |
35 | 2TM | 0.444444 | 0.918919 |
36 | F6G | 0.43956 | 0.905405 |
37 | C2G | 0.43617 | 0.891892 |
38 | DUP | 0.433333 | 0.90411 |
39 | 8DG | 0.43299 | 0.875 |
40 | CDM | 0.428571 | 0.858974 |
41 | C5G | 0.424242 | 0.855263 |
42 | DDN | 0.421687 | 0.915493 |
43 | C3P | 0.421687 | 0.876712 |
44 | C2P | 0.421687 | 0.916667 |
45 | CDP MG | 0.420455 | 0.851351 |
46 | UFP | 0.411765 | 0.855263 |
47 | LTT | 0.410256 | 0.77027 |
48 | UC5 | 0.409091 | 0.916667 |
49 | DAT | 0.408602 | 0.831169 |
50 | TMP | 0.406977 | 0.878378 |
51 | BRU | 0.406977 | 0.855263 |
52 | DGI | 0.40625 | 0.848101 |
53 | 3TC | 0.405063 | 0.76 |
54 | TLO | 0.40404 | 0.844156 |
55 | DUT MG | 0.402174 | 0.875 |
56 | DUN | 0.4 | 0.90411 |
57 | 0FX | 0.4 | 0.835443 |
This union binding pocket(no: 1) in the query (biounit: 3em1.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3em1.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3em1.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3em1.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 3em1.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 3em1.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |