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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 8 families. | |||||
1 | 4P5D | Ki = 1.5 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
2 | 4KXM | Kd = 2.6 uM | 6IA | C15 H24 N5 O7 P | CC(C)CCNc1.... |
3 | 4KXL | Kd = 0.6 uM | 6C6 | C15 H22 N5 O7 P | c1nc(c2c(n.... |
4 | 4KXN | Kd = 0.8 uM | 6K6 | C15 H18 N5 O8 P | c1cc(oc1)C.... |
5 | 4P5E | Ki = 2.8 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 4P5D | Ki = 1.5 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
2 | 4KXM | Kd = 2.6 uM | 6IA | C15 H24 N5 O7 P | CC(C)CCNc1.... |
3 | 4KXL | Kd = 0.6 uM | 6C6 | C15 H22 N5 O7 P | c1nc(c2c(n.... |
4 | 4KXN | Kd = 0.8 uM | 6K6 | C15 H18 N5 O8 P | c1cc(oc1)C.... |
5 | 4P5E | Ki = 2.8 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6K6 | 1 | 1 |
2 | 6IA | 0.666667 | 0.896104 |
3 | 6MZ | 0.639535 | 0.943662 |
4 | 6C6 | 0.585106 | 0.893333 |
5 | NO7 | 0.571429 | 0.945205 |
6 | 2SA | 0.56701 | 0.893333 |
7 | A | 0.539326 | 0.957143 |
8 | AMP | 0.539326 | 0.957143 |
9 | IMO | 0.521739 | 0.915493 |
10 | K2R | 0.477064 | 0.866667 |
11 | N6P | 0.476636 | 0.928571 |
12 | PGS | 0.464646 | 0.846154 |
13 | AU1 | 0.464646 | 0.905405 |
14 | ITT | 0.464646 | 0.902778 |
15 | 50T | 0.46 | 0.917808 |
16 | ADP | 0.459184 | 0.930556 |
17 | ABM | 0.458333 | 0.90411 |
18 | A2D | 0.458333 | 0.90411 |
19 | 45A | 0.458333 | 0.90411 |
20 | 25A | 0.457944 | 0.930556 |
21 | APC | 0.455446 | 0.893333 |
22 | AMP MG | 0.452632 | 0.915493 |
23 | 6MD | 0.449438 | 0.819444 |
24 | 71V | 0.44898 | 0.87013 |
25 | AP2 | 0.44898 | 0.893333 |
26 | BA3 | 0.44898 | 0.90411 |
27 | A12 | 0.44898 | 0.893333 |
28 | HEJ | 0.445545 | 0.930556 |
29 | ATP | 0.445545 | 0.930556 |
30 | ACP | 0.445545 | 0.905405 |
31 | AP5 | 0.444444 | 0.90411 |
32 | B4P | 0.444444 | 0.90411 |
33 | ACQ | 0.442308 | 0.905405 |
34 | 5FA | 0.441176 | 0.930556 |
35 | AQP | 0.441176 | 0.930556 |
36 | AT4 | 0.44 | 0.893333 |
37 | AN2 | 0.44 | 0.917808 |
38 | SRA | 0.4375 | 0.905405 |
39 | ADX | 0.435644 | 0.814815 |
40 | M33 | 0.435644 | 0.891892 |
41 | CA0 | 0.435644 | 0.88 |
42 | 36A | 0.433333 | 0.710843 |
43 | KG4 | 0.431373 | 0.88 |
44 | 6YZ | 0.429907 | 0.905405 |
45 | T99 | 0.428571 | 0.893333 |
46 | TAT | 0.428571 | 0.893333 |
47 | WAQ | 0.428571 | 0.846154 |
48 | ANP | 0.428571 | 0.905405 |
49 | PRX | 0.427184 | 0.88 |
50 | AR6 | 0.427184 | 0.90411 |
51 | APR | 0.427184 | 0.90411 |
52 | G 6MZ C | 0.427184 | 0.863014 |
53 | 1RB | 0.427083 | 0.898551 |
54 | ADP MG | 0.425743 | 0.902778 |
55 | ADP BEF | 0.425743 | 0.902778 |
56 | C2R | 0.425532 | 0.84 |
57 | FYA | 0.424779 | 0.891892 |
58 | 1ZZ | 0.424779 | 0.804878 |
59 | V2G | 0.424528 | 0.907895 |
60 | 5AL | 0.424528 | 0.891892 |
61 | JNT | 0.423423 | 0.905405 |
62 | AHX | 0.423423 | 0.858974 |
63 | DLL | 0.423423 | 0.891892 |
64 | RBY | 0.423077 | 0.868421 |
65 | AGS | 0.423077 | 0.881579 |
66 | APC MG | 0.423077 | 0.878378 |
67 | AD9 | 0.423077 | 0.905405 |
68 | ADV | 0.423077 | 0.868421 |
69 | QA7 | 0.422018 | 0.857143 |
70 | 8LQ | 0.422018 | 0.868421 |
71 | ATF | 0.420561 | 0.893333 |
72 | 7RP | 0.418367 | 0.942029 |
73 | 9ZD | 0.418182 | 0.87013 |
74 | 9ZA | 0.418182 | 0.87013 |
75 | OOB | 0.418182 | 0.891892 |
76 | AIR | 0.417582 | 0.887324 |
77 | SRP | 0.416667 | 0.893333 |
78 | 8LH | 0.416667 | 0.893333 |
79 | GAP | 0.415094 | 0.905405 |
80 | 4AD | 0.414414 | 0.857143 |
81 | AMO | 0.414414 | 0.868421 |
82 | RMB | 0.414141 | 0.885714 |
83 | JLN | 0.414141 | 0.851351 |
84 | HQG | 0.412844 | 0.917808 |
85 | NB8 | 0.412281 | 0.835443 |
86 | PTJ | 0.412281 | 0.858974 |
87 | 8LE | 0.411215 | 0.857143 |
88 | ARU | 0.410714 | 0.848101 |
89 | AMZ | 0.410526 | 0.851351 |
90 | ADP PO3 | 0.409524 | 0.902778 |
91 | ATP MG | 0.409524 | 0.902778 |
92 | A22 | 0.409091 | 0.917808 |
93 | MAP | 0.409091 | 0.881579 |
94 | ANP MG | 0.407407 | 0.891892 |
95 | ALF ADP | 0.407407 | 0.833333 |
96 | 3UK | 0.40708 | 0.88 |
97 | AMP DBH | 0.40678 | 0.855263 |
98 | BEF ADP | 0.40566 | 0.878378 |
99 | 8QN | 0.405405 | 0.891892 |
100 | 5SV | 0.405405 | 0.835443 |
101 | LAD | 0.403509 | 0.871795 |
102 | B5V | 0.403509 | 0.868421 |
103 | NIA | 0.402062 | 0.7875 |
104 | ADQ | 0.401786 | 0.905405 |
105 | A1R | 0.401786 | 0.894737 |
106 | A3R | 0.401786 | 0.894737 |
107 | PAJ | 0.401786 | 0.848101 |
108 | FA5 | 0.401709 | 0.868421 |
109 | 7RA | 0.4 | 0.943662 |
110 | FAI | 0.4 | 0.851351 |
111 | P2P | 0.4 | 0.915493 |
112 | BIS | 0.4 | 0.87013 |
113 | AAM | 0.4 | 0.957143 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4kxl.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4kxl.bio2) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4kxl.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4kxl.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |