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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 3 families. | |||||
1 | 2QVN | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
2 | 2PGF | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
3 | 3EWD | Ki = 4100 nM | MCF | C12 H18 N4 O4 S | CSC[C@@H]1.... |
4 | 3EWC | Ki = 20 nM | MCF | C12 H18 N4 O4 S | CSC[C@@H]1.... |
5 | 2PGR | - | DCF | C11 H16 N4 O4 | c1nc2c(n1[.... |
6 | 6II7 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2QVN | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
2 | 2PGF | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
3 | 3EWD | Ki = 4100 nM | MCF | C12 H18 N4 O4 S | CSC[C@@H]1.... |
4 | 3EWC | Ki = 20 nM | MCF | C12 H18 N4 O4 S | CSC[C@@H]1.... |
5 | 2PGR | - | DCF | C11 H16 N4 O4 | c1nc2c(n1[.... |
6 | 6II7 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADN | 0.9607 |
2 | MTI | 0.9449 |
3 | 5CD | 0.9404 |
4 | A4D | 0.9362 |
5 | MTH | 0.9352 |
6 | GMP | 0.9351 |
7 | NOS | 0.9346 |
8 | PRH | 0.9340 |
9 | FMC | 0.9329 |
10 | 5NB | 0.9313 |
11 | HPR | 0.9286 |
12 | 5AD | 0.9282 |
13 | Z8B | 0.9278 |
14 | 13A | 0.9254 |
15 | TBN | 0.9247 |
16 | IMH | 0.9241 |
17 | UA2 | 0.9234 |
18 | 5FD | 0.9228 |
19 | A | 0.9227 |
20 | FMB | 0.9226 |
21 | AD3 | 0.9225 |
22 | 1DA | 0.9225 |
23 | ZAS | 0.9224 |
24 | 5N5 | 0.9215 |
25 | 3BH | 0.9215 |
26 | A3N | 0.9211 |
27 | AOC | 0.9205 |
28 | AMP | 0.9205 |
29 | EP4 | 0.9204 |
30 | CL9 | 0.9197 |
31 | Y3J | 0.9178 |
32 | TAL | 0.9171 |
33 | 2FA | 0.9161 |
34 | 3D1 | 0.9158 |
35 | NWW | 0.9144 |
36 | NEC | 0.9141 |
37 | 3DH | 0.9138 |
38 | NWQ | 0.9134 |
39 | RFZ | 0.9130 |
40 | DBM | 0.9129 |
41 | GNG | 0.9124 |
42 | 3AD | 0.9119 |
43 | 4UO | 0.9117 |
44 | 6MD | 0.9115 |
45 | 5GP | 0.9100 |
46 | PUR | 0.9099 |
47 | FTU | 0.9099 |
48 | EKH | 0.9091 |
49 | 5F1 | 0.9091 |
50 | MTP | 0.9089 |
51 | IMP | 0.9078 |
52 | 5ID | 0.9076 |
53 | MG7 | 0.9068 |
54 | RPP | 0.9067 |
55 | 8OX | 0.9061 |
56 | 6MA | 0.9055 |
57 | G | 0.9029 |
58 | THM | 0.9029 |
59 | ARJ | 0.9027 |
60 | 5I5 | 0.9001 |
61 | XYA | 0.8999 |
62 | 26A | 0.8996 |
63 | FMP | 0.8993 |
64 | F01 | 0.8985 |
65 | MZR | 0.8980 |
66 | XMP | 0.8965 |
67 | XTS | 0.8962 |
68 | 6RE | 0.8955 |
69 | DG | 0.8947 |
70 | 5UD | 0.8942 |
71 | 7D7 | 0.8941 |
72 | 8HG | 0.8920 |
73 | IRP | 0.8916 |
74 | DGP | 0.8907 |
75 | NOC | 0.8898 |
76 | N5O | 0.8889 |
77 | 71V | 0.8884 |
78 | IMU | 0.8856 |
79 | 6CG | 0.8855 |
80 | 5BX | 0.8850 |
81 | AFX | 0.8846 |
82 | CDY | 0.8839 |
83 | ABM | 0.8838 |
84 | TMP | 0.8838 |
85 | 3L1 | 0.8836 |
86 | URI | 0.8830 |
87 | 6OG | 0.8829 |
88 | 45A | 0.8824 |
89 | D5M | 0.8819 |
90 | 93A | 0.8813 |
91 | H7S | 0.8805 |
92 | 8GM | 0.8804 |
93 | 0DN | 0.8804 |
94 | JLN | 0.8795 |
95 | 5MD | 0.8791 |
96 | VCE | 0.8779 |
97 | J7C | 0.8773 |
98 | ZJB | 0.8767 |
99 | NNR | 0.8767 |
100 | 8OP | 0.8764 |
101 | CC5 | 0.8758 |
102 | HO4 | 0.8755 |
103 | DA | 0.8753 |
104 | TO1 | 0.8750 |
105 | ZYV | 0.8743 |
106 | MCY | 0.8734 |
107 | AHU | 0.8724 |
108 | SRA | 0.8720 |
109 | ACK | 0.8714 |
110 | RVC | 0.8714 |
111 | 7CI | 0.8709 |
112 | LMS | 0.8695 |
113 | B86 | 0.8694 |
114 | HDU | 0.8692 |
115 | 6MZ | 0.8685 |
116 | 581 | 0.8681 |
117 | SCT | 0.8672 |
118 | AS | 0.8671 |
119 | CMP | 0.8670 |
120 | ACE TRP | 0.8668 |
121 | RBV | 0.8662 |
122 | MZP | 0.8661 |
123 | TMC | 0.8644 |
124 | 3DT | 0.8642 |
125 | EXX | 0.8640 |
126 | NQ7 | 0.8639 |
127 | A4G | 0.8638 |
128 | ID2 | 0.8634 |
129 | X29 | 0.8633 |
130 | TIA | 0.8619 |
131 | 5P7 | 0.8614 |
132 | EO7 | 0.8603 |
133 | SGV | 0.8579 |
134 | 3F5 | 0.8571 |
135 | QQY | 0.8566 |
136 | NMN | 0.8552 |
137 | 1FL | 0.8542 |
138 | 1TD | 0.8537 |
139 | UP6 | 0.8525 |
140 | KF5 | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 3ewc.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |