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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 5 families. | |||||
1 | 2NSL | Kd = 20.9 uM | C2R | C9 H14 N3 O9 P | c1nc(c(n1[.... |
2 | 2NSH | - | NIA | C8 H13 N4 O9 P | c1nc(c(n1[.... |
3 | 2ATE | - | NIA | C8 H13 N4 O9 P | c1nc(c(n1[.... |
4 | 2NSJ | Kd = 16.3 uM | C2R | C9 H14 N3 O9 P | c1nc(c(n1[.... |
5 | 1D7A | - | AIR | C8 H14 N3 O7 P | c1c(n(cn1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 2FW6 | Kd = 1.2 mM | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 2FWI | - | AIR | C8 H14 N3 O7 P | c1c(n(cn1).... |
3 | 2FWJ | - | AIR | C8 H14 N3 O7 P | c1c(n(cn1).... |
4 | 2FWP | Kd = 0.78 uM | ICR | C9 H14 N3 O9 P | [H]/N=C1/[.... |
5 | 2NSL | Kd = 20.9 uM | C2R | C9 H14 N3 O9 P | c1nc(c(n1[.... |
6 | 2NSH | - | NIA | C8 H13 N4 O9 P | c1nc(c(n1[.... |
7 | 2ATE | - | NIA | C8 H13 N4 O9 P | c1nc(c(n1[.... |
8 | 2NSJ | Kd = 16.3 uM | C2R | C9 H14 N3 O9 P | c1nc(c(n1[.... |
9 | 1D7A | - | AIR | C8 H14 N3 O7 P | c1c(n(cn1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | C2R | 1 | 1 |
2 | AMZ | 0.836066 | 0.985507 |
3 | OK8 | 0.666667 | 0.971831 |
4 | NIA | 0.652174 | 0.857143 |
5 | JLN | 0.638889 | 0.985507 |
6 | FAI | 0.594595 | 0.985507 |
7 | A | 0.575342 | 0.876712 |
8 | AMP | 0.575342 | 0.876712 |
9 | AIR | 0.573529 | 0.942029 |
10 | 7RA | 0.532468 | 0.864865 |
11 | AAM | 0.532468 | 0.876712 |
12 | 7RP | 0.519481 | 0.835616 |
13 | 71V | 0.518987 | 0.822785 |
14 | 1RB | 0.513158 | 0.819444 |
15 | RMB | 0.512821 | 0.808219 |
16 | RVP | 0.506849 | 0.887324 |
17 | RBZ | 0.506494 | 0.810811 |
18 | GUO | 0.5 | 0.957747 |
19 | G | 0.5 | 0.893333 |
20 | 5GP | 0.5 | 0.893333 |
21 | KG4 | 0.493976 | 0.905405 |
22 | IMP | 0.493827 | 0.891892 |
23 | IMO | 0.493671 | 0.837838 |
24 | P2P | 0.493671 | 0.813333 |
25 | 6MZ | 0.4875 | 0.84 |
26 | CA0 | 0.481928 | 0.905405 |
27 | PMO | 0.481481 | 0.786667 |
28 | 2SA | 0.477273 | 0.893333 |
29 | ADP | 0.47561 | 0.90411 |
30 | 45A | 0.475 | 0.828947 |
31 | A2D | 0.475 | 0.878378 |
32 | ABM | 0.475 | 0.828947 |
33 | AN2 | 0.46988 | 0.891892 |
34 | 93A | 0.46988 | 0.817073 |
35 | AMP MG | 0.468354 | 0.837838 |
36 | V2G | 0.465909 | 0.858974 |
37 | PGS | 0.464286 | 0.8 |
38 | AP2 | 0.463415 | 0.868421 |
39 | A12 | 0.463415 | 0.868421 |
40 | BA3 | 0.463415 | 0.878378 |
41 | 2ER | 0.463158 | 0.918919 |
42 | 1PR | 0.463158 | 0.906667 |
43 | HEJ | 0.458824 | 0.90411 |
44 | ATP | 0.458824 | 0.90411 |
45 | AP5 | 0.457831 | 0.878378 |
46 | B4P | 0.457831 | 0.878378 |
47 | 25A | 0.456522 | 0.878378 |
48 | GAP | 0.454545 | 0.855263 |
49 | AQP | 0.453488 | 0.90411 |
50 | 5FA | 0.453488 | 0.90411 |
51 | APC | 0.453488 | 0.868421 |
52 | AT4 | 0.452381 | 0.868421 |
53 | G7M | 0.452381 | 0.858974 |
54 | 8BR | 0.451219 | 0.844156 |
55 | IRN | 0.450704 | 0.855072 |
56 | SRA | 0.45 | 0.831169 |
57 | 8LE | 0.449438 | 0.857143 |
58 | 5AL | 0.449438 | 0.891892 |
59 | ADX | 0.447059 | 0.792683 |
60 | M33 | 0.447059 | 0.866667 |
61 | AU1 | 0.447059 | 0.88 |
62 | 8LQ | 0.445652 | 0.868421 |
63 | 6C6 | 0.443182 | 0.797468 |
64 | NYZ | 0.443182 | 0.871795 |
65 | ACP | 0.44186 | 0.88 |
66 | 50T | 0.44186 | 0.866667 |
67 | OOB | 0.44086 | 0.891892 |
68 | 8LH | 0.43956 | 0.868421 |
69 | SRP | 0.43956 | 0.868421 |
70 | T99 | 0.438202 | 0.868421 |
71 | ACQ | 0.438202 | 0.88 |
72 | TAT | 0.438202 | 0.868421 |
73 | 6IA | 0.438202 | 0.759036 |
74 | PRX | 0.436782 | 0.807692 |
75 | AR6 | 0.436782 | 0.90411 |
76 | APR | 0.436782 | 0.90411 |
77 | AMO | 0.43617 | 0.893333 |
78 | ADP MG | 0.435294 | 0.851351 |
79 | SON | 0.435294 | 0.893333 |
80 | ADP BEF | 0.435294 | 0.851351 |
81 | PTJ | 0.43299 | 0.858974 |
82 | K2R | 0.43299 | 0.842105 |
83 | APC MG | 0.431818 | 0.828947 |
84 | AGS | 0.431818 | 0.857143 |
85 | RBY | 0.431818 | 0.868421 |
86 | AD9 | 0.431818 | 0.88 |
87 | ADV | 0.431818 | 0.868421 |
88 | QA7 | 0.430108 | 0.857143 |
89 | 8QN | 0.425532 | 0.891892 |
90 | 6K6 | 0.425532 | 0.84 |
91 | 9ZD | 0.425532 | 0.87013 |
92 | 9ZA | 0.425532 | 0.87013 |
93 | 6YZ | 0.423913 | 0.88 |
94 | WAQ | 0.42268 | 0.846154 |
95 | ANP | 0.422222 | 0.88 |
96 | LJN | 0.421687 | 0.805195 |
97 | 4AD | 0.421053 | 0.881579 |
98 | PAJ | 0.421053 | 0.848101 |
99 | HQG | 0.419355 | 0.917808 |
100 | TXA | 0.418367 | 0.893333 |
101 | 6AD | 0.417582 | 0.825 |
102 | 00A | 0.416667 | 0.846154 |
103 | DLL | 0.416667 | 0.891892 |
104 | AHX | 0.416667 | 0.835443 |
105 | XMP | 0.416667 | 0.905405 |
106 | ADP PO3 | 0.41573 | 0.851351 |
107 | ATP MG | 0.41573 | 0.851351 |
108 | A22 | 0.414894 | 0.891892 |
109 | DAL AMP | 0.414894 | 0.866667 |
110 | ITT | 0.413793 | 0.851351 |
111 | ALF ADP | 0.413043 | 0.7875 |
112 | ATF | 0.413043 | 0.868421 |
113 | OAD | 0.412371 | 0.905405 |
114 | 3UK | 0.412371 | 0.905405 |
115 | A2P | 0.411765 | 0.863014 |
116 | BEF ADP | 0.411111 | 0.828947 |
117 | JSQ | 0.411111 | 0.857143 |
118 | HFD | 0.411111 | 0.857143 |
119 | O02 | 0.411111 | 0.835443 |
120 | MZP | 0.410256 | 0.887324 |
121 | 9SN | 0.41 | 0.858974 |
122 | LAD | 0.408163 | 0.825 |
123 | PR8 | 0.408163 | 0.814815 |
124 | B5V | 0.408163 | 0.893333 |
125 | V3L | 0.406593 | 0.90411 |
126 | GP2 | 0.406593 | 0.871795 |
127 | GDP | 0.406593 | 0.906667 |
128 | ADQ | 0.40625 | 0.88 |
129 | RGT | 0.405941 | 0.893333 |
130 | 1ZZ | 0.40404 | 0.804878 |
131 | ME8 | 0.40404 | 0.804878 |
132 | NB8 | 0.40404 | 0.858974 |
133 | 3OD | 0.40404 | 0.905405 |
134 | MZR | 0.402778 | 0.788732 |
135 | 7DD | 0.402299 | 0.890411 |
136 | GNH | 0.402174 | 0.894737 |
137 | N6P | 0.402062 | 0.824324 |
138 | G2P | 0.4 | 0.871795 |
139 | MAP | 0.4 | 0.857143 |
140 | IDP | 0.4 | 0.905405 |
141 | 7D5 | 0.4 | 0.792208 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PFU | 0.9788 |
2 | U5P | 0.9524 |
3 | C5P | 0.9509 |
4 | 16B | 0.9462 |
5 | FMP | 0.9462 |
6 | 5FU | 0.9445 |
7 | 5BU | 0.9415 |
8 | PSU | 0.9411 |
9 | FNU | 0.9409 |
10 | H2U | 0.9399 |
11 | U6M | 0.9397 |
12 | BMQ | 0.9396 |
13 | BMP | 0.9396 |
14 | DA | 0.9394 |
15 | IRP | 0.9388 |
16 | NUP | 0.9377 |
17 | LMS | 0.9374 |
18 | FN5 | 0.9361 |
19 | CH | 0.9361 |
20 | C | 0.9361 |
21 | D5M | 0.9346 |
22 | ICR | 0.9343 |
23 | S5P | 0.9342 |
24 | UMP | 0.9339 |
25 | DI | 0.9327 |
26 | 9L3 | 0.9314 |
27 | U | 0.9313 |
28 | DU | 0.9313 |
29 | 6MA | 0.9292 |
30 | NYM | 0.9280 |
31 | EO7 | 0.9279 |
32 | DC | 0.9267 |
33 | 8OP | 0.9244 |
34 | TKW | 0.9236 |
35 | DCM | 0.9233 |
36 | FDM | 0.9231 |
37 | NCN | 0.9231 |
38 | AS | 0.9224 |
39 | UP6 | 0.9208 |
40 | DUS | 0.9195 |
41 | CAR | 0.9184 |
42 | AOC | 0.9168 |
43 | TMP | 0.9163 |
44 | 5CM | 0.9145 |
45 | NMN | 0.9140 |
46 | O7E | 0.9139 |
47 | DDN | 0.9124 |
48 | BRU | 0.9122 |
49 | 3DH | 0.9116 |
50 | N5O | 0.9109 |
51 | UMC | 0.9092 |
52 | IMU | 0.9091 |
53 | ZAS | 0.9073 |
54 | 6CG | 0.9070 |
55 | 5IU | 0.9065 |
56 | QBT | 0.9058 |
57 | NEC | 0.9058 |
58 | DG | 0.9054 |
59 | A3N | 0.9046 |
60 | DOC | 0.9042 |
61 | UFP | 0.9042 |
62 | MTA | 0.9036 |
63 | 2DT | 0.9023 |
64 | D4M | 0.9023 |
65 | 6RE | 0.9020 |
66 | CNU | 0.9006 |
67 | 6CN | 0.9003 |
68 | DGP | 0.9000 |
69 | GAR | 0.8970 |
70 | 6OG | 0.8969 |
71 | 5HM | 0.8953 |
72 | MTE | 0.8933 |
73 | MTI | 0.8927 |
74 | NWQ | 0.8895 |
75 | J7C | 0.8877 |
76 | 6AU | 0.8866 |
77 | OMP | 0.8828 |
78 | JW5 | 0.8828 |
79 | 5HU | 0.8821 |
80 | Z8B | 0.8797 |
81 | CLM | 0.8784 |
82 | 8OG | 0.8774 |
83 | ATM | 0.8660 |
84 | 5PU | 0.8656 |
85 | BVP | 0.8590 |
86 | FBP | 0.8575 |
87 | EP4 | 0.8553 |
88 | UDP | 0.8549 |
89 | T3S | 0.8544 |
This union binding pocket(no: 1) in the query (biounit: 2nsj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2nsj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2nsj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2nsj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2nsj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2nsj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2nsj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2nsj.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |