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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 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 | NIA | 1 | 1 |
2 | AMZ | 0.676471 | 0.868421 |
3 | C2R | 0.652174 | 0.857143 |
4 | AMP | 0.56 | 0.820513 |
5 | A | 0.56 | 0.820513 |
6 | AIR | 0.557143 | 0.878378 |
7 | FAI | 0.538462 | 0.868421 |
8 | 7RA | 0.518987 | 0.810127 |
9 | AAM | 0.518987 | 0.820513 |
10 | OK8 | 0.517241 | 0.835443 |
11 | 71V | 0.506173 | 0.752941 |
12 | JLN | 0.5 | 0.844156 |
13 | 1RB | 0.5 | 0.766234 |
14 | RMB | 0.5 | 0.75641 |
15 | RBZ | 0.493671 | 0.759494 |
16 | RVP | 0.493333 | 0.828947 |
17 | G | 0.488095 | 0.8375 |
18 | 5GP | 0.488095 | 0.8375 |
19 | 7RP | 0.4875 | 0.782051 |
20 | ADP | 0.481928 | 0.822785 |
21 | IMO | 0.481481 | 0.78481 |
22 | P2P | 0.481481 | 0.7625 |
23 | 93A | 0.47619 | 0.75 |
24 | 6MZ | 0.47561 | 0.7875 |
25 | AMP MG | 0.475 | 0.807692 |
26 | GUO | 0.472527 | 0.87013 |
27 | A12 | 0.46988 | 0.792683 |
28 | PMO | 0.46988 | 0.7375 |
29 | AP2 | 0.46988 | 0.792683 |
30 | IMP | 0.464286 | 0.835443 |
31 | ABM | 0.463415 | 0.777778 |
32 | A2D | 0.463415 | 0.8 |
33 | 45A | 0.463415 | 0.777778 |
34 | AN2 | 0.458824 | 0.835443 |
35 | PGS | 0.453488 | 0.752941 |
36 | AU1 | 0.453488 | 0.848101 |
37 | CA0 | 0.453488 | 0.780488 |
38 | BA3 | 0.452381 | 0.8 |
39 | HEJ | 0.448276 | 0.822785 |
40 | ATP | 0.448276 | 0.822785 |
41 | ACP | 0.448276 | 0.802469 |
42 | KG4 | 0.448276 | 0.780488 |
43 | B4P | 0.447059 | 0.8 |
44 | AP5 | 0.447059 | 0.8 |
45 | 25A | 0.446809 | 0.822785 |
46 | 6IA | 0.444444 | 0.715909 |
47 | APC | 0.443182 | 0.792683 |
48 | 5FA | 0.443182 | 0.822785 |
49 | AQP | 0.443182 | 0.822785 |
50 | ADP BEF | 0.44186 | 0.820513 |
51 | AT4 | 0.44186 | 0.792683 |
52 | ADP MG | 0.44186 | 0.820513 |
53 | G7M | 0.44186 | 0.829268 |
54 | SRA | 0.439024 | 0.780488 |
55 | IRN | 0.438356 | 0.797297 |
56 | APC MG | 0.438202 | 0.8 |
57 | AD9 | 0.438202 | 0.802469 |
58 | M33 | 0.436782 | 0.790123 |
59 | ADX | 0.436782 | 0.727273 |
60 | 2SA | 0.434783 | 0.771084 |
61 | 6C6 | 0.433333 | 0.75 |
62 | NYZ | 0.433333 | 0.797619 |
63 | 50T | 0.431818 | 0.790123 |
64 | SRP | 0.430108 | 0.771084 |
65 | ACQ | 0.428571 | 0.802469 |
66 | T99 | 0.428571 | 0.792683 |
67 | TAT | 0.428571 | 0.792683 |
68 | ANP | 0.428571 | 0.848101 |
69 | GAP | 0.428571 | 0.780488 |
70 | AMO | 0.427083 | 0.771084 |
71 | APR | 0.426966 | 0.8 |
72 | PRX | 0.426966 | 0.759036 |
73 | AR6 | 0.426966 | 0.8 |
74 | 2ER | 0.424242 | 0.8375 |
75 | 1PR | 0.424242 | 0.804878 |
76 | 8LE | 0.423913 | 0.761905 |
77 | 5AL | 0.423913 | 0.790123 |
78 | V2G | 0.423913 | 0.785714 |
79 | 6AD | 0.423913 | 0.755814 |
80 | 8BR | 0.423529 | 0.792683 |
81 | RBY | 0.422222 | 0.771084 |
82 | ADV | 0.422222 | 0.771084 |
83 | ATP MG | 0.422222 | 0.820513 |
84 | ADP PO3 | 0.422222 | 0.820513 |
85 | AGS | 0.422222 | 0.783133 |
86 | 8LQ | 0.421053 | 0.771084 |
87 | ATF | 0.419355 | 0.792683 |
88 | ALF ADP | 0.419355 | 0.761905 |
89 | ANP MG | 0.419355 | 0.858974 |
90 | MZP | 0.417722 | 0.828947 |
91 | BEF ADP | 0.417582 | 0.8 |
92 | O02 | 0.417582 | 0.785714 |
93 | 6YZ | 0.414894 | 0.802469 |
94 | 8LH | 0.414894 | 0.771084 |
95 | GP2 | 0.413043 | 0.797619 |
96 | GDP | 0.413043 | 0.82716 |
97 | HQG | 0.410526 | 0.8125 |
98 | K2R | 0.41 | 0.746988 |
99 | PTJ | 0.41 | 0.764706 |
100 | BIS | 0.41 | 0.77381 |
101 | SON | 0.409091 | 0.792683 |
102 | 7DD | 0.409091 | 0.810127 |
103 | AHX | 0.408163 | 0.807229 |
104 | XMP | 0.406977 | 0.825 |
105 | DAL AMP | 0.40625 | 0.790123 |
106 | A22 | 0.40625 | 0.8125 |
107 | QA7 | 0.40625 | 0.761905 |
108 | MAP | 0.40625 | 0.82716 |
109 | ITT | 0.404494 | 0.775 |
110 | VO4 ADP | 0.404255 | 0.825 |
111 | A2P | 0.402299 | 0.807692 |
112 | HFD | 0.402174 | 0.783133 |
113 | JSQ | 0.402174 | 0.783133 |
114 | 9ZA | 0.402062 | 0.795181 |
115 | OOB | 0.402062 | 0.790123 |
116 | 5SV | 0.402062 | 0.724138 |
117 | 8QN | 0.402062 | 0.790123 |
118 | 6K6 | 0.402062 | 0.7875 |
119 | 9ZD | 0.402062 | 0.795181 |
120 | LAD | 0.4 | 0.735632 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | C5P | 0.9529 |
2 | U5P | 0.9524 |
3 | PFU | 0.9492 |
4 | ICR | 0.9450 |
5 | FNU | 0.9398 |
6 | FMP | 0.9380 |
7 | UMP | 0.9372 |
8 | C | 0.9314 |
9 | D5M | 0.9299 |
10 | 16B | 0.9298 |
11 | BMQ | 0.9285 |
12 | DA | 0.9284 |
13 | BMP | 0.9278 |
14 | U | 0.9277 |
15 | PSU | 0.9267 |
16 | UP6 | 0.9259 |
17 | TKW | 0.9254 |
18 | NUP | 0.9250 |
19 | H2U | 0.9238 |
20 | TMP | 0.9236 |
21 | LMS | 0.9208 |
22 | U6M | 0.9196 |
23 | 5FU | 0.9194 |
24 | DU | 0.9194 |
25 | CAR | 0.9168 |
26 | 5IU | 0.9165 |
27 | 5CM | 0.9128 |
28 | DUS | 0.9125 |
29 | 8OP | 0.9124 |
30 | N5O | 0.9117 |
31 | UFP | 0.9110 |
32 | S5P | 0.9108 |
33 | FN5 | 0.9107 |
34 | 5BU | 0.9105 |
35 | QBT | 0.9105 |
36 | NCN | 0.9103 |
37 | DOC | 0.9102 |
38 | BRU | 0.9095 |
39 | NMN | 0.9094 |
40 | CH | 0.9083 |
41 | IRP | 0.9081 |
42 | 6RE | 0.9081 |
43 | 6MA | 0.9072 |
44 | NEC | 0.9064 |
45 | 6CG | 0.9055 |
46 | AS | 0.9046 |
47 | DI | 0.9034 |
48 | O7E | 0.9029 |
49 | CNU | 0.9026 |
50 | EO7 | 0.9019 |
51 | IMU | 0.9011 |
52 | MTA | 0.9007 |
53 | NYM | 0.8993 |
54 | 9L3 | 0.8971 |
55 | ZAS | 0.8966 |
56 | DG | 0.8956 |
57 | AOC | 0.8940 |
58 | 6CN | 0.8915 |
59 | MTI | 0.8907 |
60 | J7C | 0.8901 |
61 | A3N | 0.8897 |
62 | 7D5 | 0.8881 |
63 | DGP | 0.8876 |
64 | NWQ | 0.8855 |
65 | 2DT | 0.8838 |
66 | FDM | 0.8819 |
67 | JW5 | 0.8803 |
68 | 6OG | 0.8798 |
69 | 5HU | 0.8761 |
70 | D4M | 0.8741 |
71 | 8OG | 0.8721 |
72 | OMP | 0.8622 |
73 | ADN | 0.8595 |
74 | A4D | 0.8592 |
75 | EP4 | 0.8578 |
76 | NOS | 0.8533 |
77 | FMC | 0.8525 |
78 | BVP | 0.8521 |
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 |