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- 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 9 families. | |||||
1 | 1Q92 | - | DRM | C10 H15 N2 O6 P | C1C[C@H]([.... |
2 | 1Z4P | - | DGP | C10 H14 N5 O7 P | c1nc2c(n1[.... |
3 | 1Z4M | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
4 | 4NFL | Ki = 22.1 uM | 2JW | C17 H18 N3 O10 P | CC1=CN(C(=.... |
5 | 1Q91 | Ki = 70 uM | DPB | C17 H19 N2 O8 P | CC1=CN(C(=.... |
6 | 2JAU | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
7 | 1Z4K | - | T3P | C10 H15 N2 O8 P | CC1=CN(C(=.... |
8 | 2JAW | - | BVP | C11 H14 Br N2 O8 P | C1[C@@H]([.... |
9 | 1Z4L | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
10 | 4L6C | Ki = 2.71 uM | 0BT | C17 H18 I N2 O8 P | CC1=CN(C(=.... |
11 | 1Z4Q | - | D4M | C10 H13 N2 O7 P | CC1=CN(C(=.... |
12 | 4MWO | Ki = 7.9 uM | 2E2 | C18 H19 N2 O10 P | CC1=CN(C(=.... |
13 | 1Z4I | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 1Z4J | - | U2P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
15 | 2JAR | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
16 | 2JAO | - | DGP | C10 H14 N5 O7 P | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 1Q92 | - | DRM | C10 H15 N2 O6 P | C1C[C@H]([.... |
2 | 1Z4P | - | DGP | C10 H14 N5 O7 P | c1nc2c(n1[.... |
3 | 1Z4M | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
4 | 4NFL | Ki = 22.1 uM | 2JW | C17 H18 N3 O10 P | CC1=CN(C(=.... |
5 | 1Q91 | Ki = 70 uM | DPB | C17 H19 N2 O8 P | CC1=CN(C(=.... |
6 | 2JAU | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
7 | 1Z4K | - | T3P | C10 H15 N2 O8 P | CC1=CN(C(=.... |
8 | 2JAW | - | BVP | C11 H14 Br N2 O8 P | C1[C@@H]([.... |
9 | 1Z4L | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
10 | 4L6C | Ki = 2.71 uM | 0BT | C17 H18 I N2 O8 P | CC1=CN(C(=.... |
11 | 1Z4Q | - | D4M | C10 H13 N2 O7 P | CC1=CN(C(=.... |
12 | 4MWO | Ki = 7.9 uM | 2E2 | C18 H19 N2 O10 P | CC1=CN(C(=.... |
13 | 1Z4I | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 1Z4J | - | U2P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
15 | 2JAR | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
16 | 2JAO | - | DGP | C10 H14 N5 O7 P | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DGP | 1 | 1 |
2 | DG | 1 | 1 |
3 | DGI | 0.815789 | 0.986842 |
4 | DGT | 0.775 | 0.986842 |
5 | DI | 0.62963 | 0.973333 |
6 | 5GP | 0.60241 | 0.922078 |
7 | G | 0.60241 | 0.922078 |
8 | CGP | 0.596154 | 0.925926 |
9 | GDP | 0.516484 | 0.910256 |
10 | GH3 | 0.515789 | 0.935065 |
11 | DA | 0.511905 | 0.894737 |
12 | D5M | 0.511905 | 0.894737 |
13 | 3GP | 0.505747 | 0.909091 |
14 | 2GP | 0.505747 | 0.922078 |
15 | GP3 | 0.505495 | 0.8875 |
16 | G3D | 0.505263 | 0.922078 |
17 | GTP | 0.5 | 0.910256 |
18 | GP2 | 0.5 | 0.924051 |
19 | G4P | 0.494845 | 0.922078 |
20 | GNH | 0.494624 | 0.898734 |
21 | P2G | 0.494382 | 0.871795 |
22 | G2P | 0.489583 | 0.924051 |
23 | GMP | 0.487805 | 0.797468 |
24 | GMV | 0.484211 | 0.8875 |
25 | ALF 5GP | 0.484211 | 0.833333 |
26 | P1G | 0.483516 | 0.884615 |
27 | G2R | 0.48 | 0.948718 |
28 | GAV | 0.479592 | 0.876543 |
29 | GCP | 0.479167 | 0.911392 |
30 | G1R | 0.479167 | 0.898734 |
31 | 6OG | 0.477778 | 0.886076 |
32 | 0O2 | 0.475248 | 0.922078 |
33 | GSP | 0.474227 | 0.865854 |
34 | 9GM | 0.474227 | 0.8875 |
35 | GNP | 0.474227 | 0.8875 |
36 | 3PD UM3 | 0.473214 | 0.878049 |
37 | DOI | 0.47191 | 0.87013 |
38 | 6MA | 0.47191 | 0.858974 |
39 | GDP BEF | 0.463918 | 0.875 |
40 | GPG | 0.460784 | 0.876543 |
41 | GPX | 0.46 | 0.909091 |
42 | GTP MG | 0.459184 | 0.897436 |
43 | GDP ALF | 0.455446 | 0.833333 |
44 | 3ZE | 0.451613 | 0.897436 |
45 | CF2 | 0.451613 | 0.811765 |
46 | GPD | 0.449541 | 0.890244 |
47 | GDC | 0.443396 | 0.876543 |
48 | GKE | 0.443396 | 0.876543 |
49 | Y9Z | 0.443396 | 0.869048 |
50 | GDD | 0.443396 | 0.876543 |
51 | GDP AF3 | 0.441176 | 0.833333 |
52 | G3A | 0.435185 | 0.8875 |
53 | YGP | 0.433962 | 0.845238 |
54 | KB7 | 0.43299 | 0.795181 |
55 | G5P | 0.431193 | 0.8875 |
56 | SGP | 0.430108 | 0.817073 |
57 | JB2 | 0.427273 | 0.876543 |
58 | GTG | 0.425926 | 0.855422 |
59 | GFB | 0.425926 | 0.876543 |
60 | GDR | 0.425926 | 0.876543 |
61 | DAT | 0.425532 | 0.896104 |
62 | 6CK | 0.422018 | 0.855422 |
63 | DZ4 | 0.418367 | 0.873418 |
64 | GKD | 0.414414 | 0.876543 |
65 | DU DU DU DU BRU DG DU | 0.414062 | 0.827586 |
66 | BGO | 0.413793 | 0.865854 |
67 | U2G | 0.413793 | 0.855422 |
68 | GDX | 0.410714 | 0.8875 |
69 | DTP | 0.408163 | 0.896104 |
70 | CG2 | 0.40678 | 0.855422 |
71 | AS | 0.406593 | 0.85 |
72 | KBD | 0.40566 | 0.795181 |
73 | GDP 7MG | 0.405405 | 0.853659 |
74 | JB3 | 0.405172 | 0.865854 |
75 | UCG | 0.404762 | 0.876543 |
76 | 8OG | 0.404255 | 0.855422 |
77 | FEG | 0.401709 | 0.869048 |
78 | NGD | 0.401709 | 0.876543 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AMP | 0.9601 |
2 | EO7 | 0.9578 |
3 | IMP | 0.9534 |
4 | IMU | 0.9501 |
5 | XMP | 0.9482 |
6 | 71V | 0.9463 |
7 | LMS | 0.9455 |
8 | 45A | 0.9444 |
9 | BRU | 0.9429 |
10 | AMP MG | 0.9427 |
11 | G7M | 0.9411 |
12 | TMP | 0.9400 |
13 | 5CM | 0.9389 |
14 | SRA | 0.9387 |
15 | 93A | 0.9368 |
16 | 8BR | 0.9361 |
17 | IRP | 0.9348 |
18 | 6CG | 0.9338 |
19 | UFP | 0.9327 |
20 | ABM | 0.9326 |
21 | FMP | 0.9325 |
22 | 6MZ | 0.9292 |
23 | JLN | 0.9248 |
24 | N5O | 0.9227 |
25 | 7D5 | 0.9225 |
26 | ZAS | 0.9220 |
27 | 8GM | 0.9218 |
28 | 5IU | 0.9217 |
29 | 8OP | 0.9208 |
30 | 5HU | 0.9198 |
31 | PCG | 0.9192 |
32 | NEC | 0.9165 |
33 | CMP | 0.9164 |
34 | UMP | 0.9149 |
35 | U5P | 0.9142 |
36 | QBT | 0.9139 |
37 | A3N | 0.9120 |
38 | 3DH | 0.9120 |
39 | AOC | 0.9116 |
40 | 5FU | 0.9112 |
41 | CNU | 0.9109 |
42 | Z8B | 0.9109 |
43 | 5BU | 0.9107 |
44 | J7C | 0.9085 |
45 | 6RE | 0.9085 |
46 | 9L3 | 0.9062 |
47 | MTA | 0.9057 |
48 | 5AS | 0.9037 |
49 | NYM | 0.9036 |
50 | DCM | 0.9027 |
51 | 4X2 | 0.9012 |
52 | C2R | 0.9000 |
53 | EP4 | 0.8996 |
54 | C | 0.8994 |
55 | NMN | 0.8993 |
56 | 5HM | 0.8985 |
57 | 35G | 0.8960 |
58 | NWQ | 0.8960 |
59 | U | 0.8958 |
60 | 2DT | 0.8950 |
61 | DU | 0.8948 |
62 | AMZ | 0.8940 |
63 | TKW | 0.8940 |
64 | T3S | 0.8938 |
65 | NCN | 0.8934 |
66 | DUS | 0.8931 |
67 | 75G | 0.8930 |
68 | 6SW | 0.8928 |
69 | FDM | 0.8927 |
70 | PFU | 0.8920 |
71 | RVP | 0.8918 |
72 | MCF | 0.8907 |
73 | C5P | 0.8904 |
74 | SSI | 0.8902 |
75 | D4M | 0.8896 |
76 | CA0 | 0.8892 |
77 | H2U | 0.8881 |
78 | UP6 | 0.8877 |
79 | SP1 | 0.8876 |
80 | NIA | 0.8876 |
81 | CAR | 0.8876 |
82 | TXS | 0.8875 |
83 | BVP | 0.8875 |
84 | RP1 | 0.8868 |
85 | FNU | 0.8863 |
86 | PSU | 0.8839 |
87 | O8M | 0.8833 |
88 | GNG | 0.8826 |
89 | 7CH | 0.8825 |
90 | ACJ | 0.8811 |
91 | T7O | 0.8808 |
92 | UMC | 0.8804 |
93 | 3Q1 | 0.8800 |
94 | 16B | 0.8791 |
95 | 0NU | 0.8781 |
96 | TZY | 0.8775 |
97 | 581 | 0.8765 |
98 | 43H | 0.8762 |
99 | ATM | 0.8761 |
100 | 6SZ | 0.8758 |
101 | ADP | 0.8750 |
102 | 6J7 | 0.8746 |
103 | 2FA | 0.8744 |
104 | 4UO | 0.8742 |
105 | CL9 | 0.8735 |
106 | KG4 | 0.8733 |
107 | 3D1 | 0.8728 |
108 | 0JB | 0.8727 |
109 | PWH | 0.8722 |
110 | DC | 0.8718 |
111 | JP3 | 0.8709 |
112 | 8HG | 0.8694 |
113 | SNP | 0.8693 |
114 | M8Q | 0.8690 |
115 | 103 | 0.8687 |
116 | PRX | 0.8686 |
117 | ADN | 0.8682 |
118 | M7G | 0.8681 |
119 | DSH | 0.8675 |
120 | 100 | 0.8675 |
121 | 3L6 | 0.8671 |
122 | 3F5 | 0.8670 |
123 | IXF | 0.8664 |
124 | FMC | 0.8634 |
125 | 460 | 0.8627 |
126 | HDU | 0.8623 |
127 | PY1 | 0.8619 |
128 | IYX | 0.8606 |
129 | JFX | 0.8595 |
130 | NOS | 0.8594 |
131 | XTK | 0.8584 |
132 | A | 0.8575 |
133 | 5N5 | 0.8575 |
134 | FN5 | 0.8574 |
135 | 9ST | 0.8566 |
136 | A4D | 0.8535 |
137 | RFZ | 0.8526 |
138 | QTJ | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 4l6c.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1L5Y | BEF | 7.09677 |
2 | 1L5Y | BEF | 7.09677 |
This union binding pocket(no: 2) in the query (biounit: 4l6c.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |