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- Structure Biounit | Ligand Information
- 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 29 families. | |||||
1 | 1LCA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
2 | 1VZC | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
3 | 1LCB | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
4 | 1BO7 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
5 | 2G8A | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
6 | 1JMI | Kd = 0.87 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
7 | 1VZE | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
8 | 1BO8 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 1BPJ | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
10 | 1VZA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
11 | 1NJE | Kd = 160 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
12 | 1JMH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
13 | 1TSL | Ki = 0.7 uM | A15 | C24 H14 Cl2 O4 | c1cc2cccc3.... |
14 | 2G86 | Kd = 0.44 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
15 | 1VZD | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
16 | 1NJD | Kd = 2.7 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
17 | 1BP6 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
18 | 1TVV | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
19 | 1TVU | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
20 | 1NJC | Kd = 2.8 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
21 | 1LCE | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
22 | 1TSY | Kd = 11 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
23 | 1BP0 | Kd = 4 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
24 | 1NJA | Kd = 0.49 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
25 | 1VZB | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
26 | 2G89 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
27 | 1TSX | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
28 | 1JMF | Kd = 1.7 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
29 | 1JMG | Kd = 0.85 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
30 | 1TVW | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
31 | 2G8D | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
32 | 6QYA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
33 | 5J7W | Ki = 13 uM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4E28 | Ki = 1.3 uM | 0MZ | C19 H15 F3 N4 O3 S | c1ccc(c(c1.... |
2 | 6QXG | Ki = 1.1 nM | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
3 | 6QXH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
4 | 1LCA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
5 | 1VZC | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
6 | 1LCB | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
7 | 1BO7 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
8 | 2G8A | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
9 | 1JMI | Kd = 0.87 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
10 | 1VZE | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
11 | 1BO8 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
12 | 1BPJ | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
13 | 1VZA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 1NJE | Kd = 160 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
15 | 1JMH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
16 | 1TSL | Ki = 0.7 uM | A15 | C24 H14 Cl2 O4 | c1cc2cccc3.... |
17 | 2G86 | Kd = 0.44 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
18 | 1VZD | - | UFP | C9 H12 F N2 O8 P | C1[C@@H]([.... |
19 | 1NJD | Kd = 2.7 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
20 | 1BP6 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
21 | 1TVV | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
22 | 1TVU | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
23 | 1NJC | Kd = 2.8 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
24 | 1LCE | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
25 | 1TSY | Kd = 11 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
26 | 1BP0 | Kd = 4 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
27 | 1NJA | Kd = 0.49 uM | DCM | C9 H14 N3 O7 P | C1[C@@H]([.... |
28 | 1VZB | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
29 | 2G89 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
30 | 1TSX | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
31 | 1JMF | Kd = 1.7 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
32 | 1JMG | Kd = 0.85 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
33 | 1TVW | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
34 | 2G8D | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
35 | 1BJG | - | TMF | C20 H21 N7 O6 | c1cc(ccc1C.... |
36 | 2VET | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
37 | 2FTO | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
38 | 1TYS | Kd = 3.27 uM | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
39 | 2BBQ | - | PFG | C39 H44 N8 O15 | C#CC[N@](C.... |
40 | 1BID | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
41 | 4LRR | Ki = 6 uM | CF9 | C18 H9 N O6 | c1cc2c(ccc.... |
42 | 1AOB | - | DDU | C9 H12 N2 O4 | C[C@@H]1[C.... |
43 | 1F4E | Ki = 1.1 mM | TPR | C12 H15 N O4 S | Cc1ccc(cc1.... |
44 | 1BDU | - | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
45 | 1TRG | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
46 | 2TSC | - | CB3 | C24 H23 N5 O6 | C#CCN(Cc1c.... |
47 | 2KCE | Ki = 0.67 uM | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
48 | 5H39 | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
49 | 5H3A | - | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
50 | 1F28 | Ki = 16 nM | F89 | C27 H24 N4 O6 | CC1=Nc2ccc.... |
51 | 6PF6 | - | OEJ | C22 H17 N5 O6 | c1cc(ccc1C.... |
52 | 5X66 | Kd = 1.19 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
53 | 1I00 | Ki = 0.46 uM | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
54 | 1HVY | - | D16 | C21 H22 N4 O6 S | CC1=NC(=O).... |
55 | 6PF3 | - | OE7 | C21 H16 Cl N5 O4 | c1cc(ccc1C.... |
56 | 6PF5 | - | OED | C23 H21 N5 O5 | COc1ccc(c(.... |
57 | 5X67 | Kd = 1.19 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
58 | 5X5D | Kd = 1.19 uM | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
59 | 2AAZ | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
60 | 6QYA | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
61 | 5J7W | Ki = 13 uM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | U5P | 1 | 1 |
2 | U | 1 | 1 |
3 | 44P | 0.790323 | 0.941176 |
4 | UDP | 0.78125 | 0.984615 |
5 | UTP | 0.746269 | 0.984615 |
6 | 2KH | 0.735294 | 0.955224 |
7 | U5F | 0.735294 | 0.984615 |
8 | UDP UDP | 0.727273 | 0.953846 |
9 | UPU | 0.694444 | 0.954545 |
10 | UNP | 0.690141 | 0.955224 |
11 | 660 | 0.662338 | 0.913043 |
12 | URM | 0.662338 | 0.913043 |
13 | URI | 0.661017 | 0.848485 |
14 | GDU | 0.641026 | 0.926471 |
15 | UFM | 0.641026 | 0.926471 |
16 | UPG | 0.641026 | 0.926471 |
17 | U2F | 0.6375 | 0.875 |
18 | UPF | 0.6375 | 0.875 |
19 | Y6W | 0.632911 | 0.875 |
20 | UDH | 0.628205 | 0.851351 |
21 | UPP | 0.628205 | 0.926471 |
22 | UFG | 0.617284 | 0.875 |
23 | AWU | 0.6125 | 0.926471 |
24 | CJB | 0.603175 | 0.80597 |
25 | UDX | 0.597561 | 0.926471 |
26 | UDP GAL | 0.597561 | 0.898551 |
27 | UAD | 0.597561 | 0.926471 |
28 | 3UC | 0.588235 | 0.875 |
29 | USQ | 0.583333 | 0.807692 |
30 | UGB | 0.583333 | 0.940298 |
31 | UGA | 0.583333 | 0.940298 |
32 | 5FU | 0.57971 | 0.927536 |
33 | G3N | 0.576471 | 0.9 |
34 | UGF | 0.576471 | 0.887324 |
35 | U3P | 0.573529 | 0.953846 |
36 | UA3 | 0.573529 | 0.953846 |
37 | C | 0.571429 | 0.941176 |
38 | CAR | 0.571429 | 0.941176 |
39 | C5P | 0.571429 | 0.941176 |
40 | UDM | 0.568182 | 0.9 |
41 | 5BU | 0.56338 | 0.927536 |
42 | U4S | 0.557143 | 0.763889 |
43 | UD2 | 0.555556 | 0.913043 |
44 | UD1 | 0.555556 | 0.913043 |
45 | CSQ | 0.550562 | 0.863014 |
46 | CSV | 0.550562 | 0.863014 |
47 | U2S | 0.541667 | 0.777778 |
48 | U3S | 0.541667 | 0.763889 |
49 | CNU | 0.540541 | 0.941176 |
50 | S5P | 0.535211 | 0.901408 |
51 | 16B | 0.534247 | 0.901408 |
52 | FZK | 0.530864 | 0.765432 |
53 | U2P | 0.528571 | 0.939394 |
54 | UMP | 0.527778 | 0.911765 |
55 | DU | 0.527778 | 0.911765 |
56 | HP7 | 0.526882 | 0.926471 |
57 | UD7 | 0.526882 | 0.913043 |
58 | MJZ | 0.521277 | 0.9 |
59 | UP6 | 0.521127 | 0.884058 |
60 | F5P | 0.515789 | 0.9 |
61 | 12V | 0.515789 | 0.887324 |
62 | UD4 | 0.515789 | 0.9 |
63 | F5G | 0.515789 | 0.913043 |
64 | HWU | 0.515789 | 0.887324 |
65 | BMP | 0.513889 | 0.955224 |
66 | UP5 | 0.510204 | 0.84 |
67 | DKX | 0.507246 | 0.732394 |
68 | U6M | 0.506849 | 0.969697 |
69 | NUP | 0.506849 | 0.927536 |
70 | LSU | 0.505882 | 0.746988 |
71 | IUG | 0.505155 | 0.797468 |
72 | EPZ | 0.5 | 0.9 |
73 | JW5 | 0.5 | 0.955224 |
74 | 4TC | 0.5 | 0.818182 |
75 | U1S | 0.5 | 0.76 |
76 | EPU | 0.49505 | 0.887324 |
77 | EEB | 0.49505 | 0.887324 |
78 | UDZ | 0.494949 | 0.84 |
79 | H2U | 0.486111 | 0.911765 |
80 | YSU | 0.483516 | 0.756098 |
81 | 6CN | 0.480519 | 0.941176 |
82 | OMP | 0.480519 | 0.969697 |
83 | 6AU | 0.480519 | 0.969697 |
84 | TKW | 0.48 | 0.927536 |
85 | UMF | 0.479452 | 0.869565 |
86 | UUA | 0.477612 | 0.757576 |
87 | BMQ | 0.472222 | 0.939394 |
88 | PUP | 0.47191 | 0.926471 |
89 | 5HM | 0.467532 | 0.888889 |
90 | O7E | 0.463415 | 0.941176 |
91 | ICR | 0.460526 | 0.830986 |
92 | UMA | 0.458716 | 0.9 |
93 | O7M | 0.45679 | 0.941176 |
94 | UC5 | 0.455696 | 0.885714 |
95 | UTP U U U | 0.454545 | 0.909091 |
96 | CDP | 0.45 | 0.927536 |
97 | 2TU | 0.449275 | 0.760563 |
98 | FNU | 0.441558 | 0.876712 |
99 | 2TM | 0.440476 | 0.888889 |
100 | 2QR | 0.439655 | 0.810127 |
101 | DUD | 0.4375 | 0.898551 |
102 | N3E | 0.4375 | 0.743243 |
103 | 2OM | 0.435897 | 0.925373 |
104 | U21 | 0.434783 | 0.797468 |
105 | U22 | 0.434783 | 0.777778 |
106 | U20 | 0.434783 | 0.797468 |
107 | HF4 | 0.433735 | 0.927536 |
108 | CTP | 0.433735 | 0.927536 |
109 | DUT | 0.433735 | 0.898551 |
110 | 8OP | 0.428571 | 0.849315 |
111 | BUP | 0.428571 | 0.914286 |
112 | 8GM | 0.421687 | 0.853333 |
113 | 5GW | 0.420455 | 0.927536 |
114 | CDP MG | 0.414634 | 0.898551 |
115 | 4RA | 0.414634 | 0.842105 |
116 | 0RC | 0.413793 | 0.851351 |
117 | DUP | 0.411765 | 0.873239 |
118 | DUN | 0.409639 | 0.873239 |
119 | UD0 | 0.408 | 0.831169 |
120 | UM3 | 0.407895 | 0.897059 |
121 | UVC | 0.407895 | 0.842857 |
122 | C5G | 0.404255 | 0.875 |
123 | 6MZ C U | 0.403226 | 0.775 |
124 | UPA | 0.401869 | 0.828947 |
125 | UAG | 0.4 | 0.851351 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DCM | 0.9889 |
2 | PSU | 0.9805 |
3 | DDN | 0.9803 |
4 | UMC | 0.9773 |
5 | TMP | 0.9715 |
6 | UFP | 0.9712 |
7 | CH | 0.9654 |
8 | FN5 | 0.9654 |
9 | PFU | 0.9630 |
10 | DUS | 0.9618 |
11 | DC | 0.9577 |
12 | 5CM | 0.9533 |
13 | 5IU | 0.9531 |
14 | NYM | 0.9523 |
15 | QBT | 0.9476 |
16 | FDM | 0.9457 |
17 | BRU | 0.9445 |
18 | DOC | 0.9435 |
19 | AMP | 0.9368 |
20 | C2R | 0.9313 |
21 | 2DT | 0.9296 |
22 | D4M | 0.9295 |
23 | 9L3 | 0.9280 |
24 | NIA | 0.9277 |
25 | IMP | 0.9264 |
26 | AMZ | 0.9263 |
27 | DI | 0.9225 |
28 | D5M | 0.9223 |
29 | DA | 0.9223 |
30 | AIR | 0.9197 |
31 | NCN | 0.9195 |
32 | NMN | 0.9194 |
33 | FMP | 0.9165 |
34 | 5HU | 0.9156 |
35 | IRP | 0.9135 |
36 | T3S | 0.9135 |
37 | NEC | 0.9116 |
38 | AS | 0.9107 |
39 | N5O | 0.9106 |
40 | 8BR | 0.9103 |
41 | GAR | 0.9075 |
42 | 6MA | 0.9030 |
43 | M2T | 0.9030 |
44 | 5GP | 0.8986 |
45 | J7C | 0.8981 |
46 | 6RE | 0.8981 |
47 | MTH | 0.8980 |
48 | IRN | 0.8972 |
49 | IGP | 0.8967 |
50 | 5QT | 0.8963 |
51 | MTA | 0.8959 |
52 | DGP | 0.8958 |
53 | CMP | 0.8957 |
54 | ATM | 0.8944 |
55 | MTM | 0.8930 |
56 | 5AE | 0.8930 |
57 | G | 0.8917 |
58 | 71V | 0.8897 |
59 | XMP | 0.8877 |
60 | 8OG | 0.8874 |
61 | 2GE | 0.8868 |
62 | 103 | 0.8863 |
63 | 7D5 | 0.8861 |
64 | N8M | 0.8860 |
65 | 49K | 0.8859 |
66 | 2T4 | 0.8854 |
67 | 90J | 0.8849 |
68 | MTE | 0.8847 |
69 | KTK | 0.8847 |
70 | 3RC | 0.8839 |
71 | DRM | 0.8837 |
72 | PZB | 0.8833 |
73 | 6HW | 0.8832 |
74 | RP1 | 0.8824 |
75 | DG | 0.8810 |
76 | I5A | 0.8810 |
77 | TXS | 0.8783 |
78 | CTN | 0.8768 |
79 | O8M | 0.8763 |
80 | SP1 | 0.8761 |
81 | DUR | 0.8757 |
82 | F01 | 0.8755 |
83 | JLN | 0.8751 |
84 | IWH | 0.8750 |
85 | DCZ | 0.8746 |
86 | FAI | 0.8746 |
87 | TDH | 0.8738 |
88 | ML2 | 0.8704 |
89 | TMC | 0.8689 |
90 | S0J | 0.8685 |
91 | THM | 0.8643 |
92 | S45 | 0.8637 |
93 | K8W | 0.8626 |
94 | 1CE | 0.8608 |
95 | RVA | 0.8608 |
96 | AFP | 0.8601 |
97 | 6JJ | 0.8586 |
98 | 4X2 | 0.8582 |
99 | FDP | 0.8581 |
100 | VIB | 0.8572 |
101 | 9RK | 0.8558 |
102 | C5Q | 0.8542 |
This union binding pocket(no: 1) in the query (biounit: 2g86.bio1) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2g86.bio1) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |