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- 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 | 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 | 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 |
This union binding pocket(no: 1) in the query (biounit: 6xps.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6xps.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6xps.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6xps.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 6xps.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 6xps.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |