- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
-
|
- Download
- 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 10 families. | |||||
1 | 2CYC | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2CYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 4NX2 | - | 2LT | C9 H9 Cl2 N O3 | c1c(cc(c(c.... |
3 | 3QE4 | - | 4CF | C10 H10 N2 O2 | c1cc(ccc1C.... |
4 | 4NDA | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
5 | 3D6V | - | TFQ | C11 H12 F3 N O2 | c1cc(ccc1C.... |
6 | 2AG6 | - | 4BF | C9 H10 Br N O2 | c1cc(ccc1C.... |
7 | 3D6U | - | T11 | C11 H12 F3 N3 O2 | c1cc(ccc1C.... |
8 | 4PBT | - | 2LQ | C18 H24 N2 O3 | c1cc(ccc1C.... |
9 | 5N5U | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2HGZ | - | PBF | C16 H15 N O3 | c1ccc(cc1).... |
11 | 4PBR | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
12 | 5L7P | - | BUU | C16 H16 N2 O6 | c1ccc(c(c1.... |
13 | 2PXH | - | BP5 | C13 H13 N3 O2 | c1ccnc(c1).... |
14 | 3N2Y | - | TEF | C10 H11 N5 O2 | c1cc(ccc1C.... |
15 | 1ZH6 | - | 4AF | C11 H13 N O3 | CC(=O)c1cc.... |
16 | 4PBS | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
17 | 1ZH0 | - | NAL | C13 H13 N O2 | c1ccc2cc(c.... |
18 | 2CYC | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
19 | 1Q11 | - | TYE | C9 H13 N O2 | c1cc(ccc1C.... |
20 | 5THH | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
21 | 3VGJ | - | YAP | C19 H23 N6 O9 P | c1cc(ccc1C.... |
22 | 2J5B | - | TYE | C9 H13 N O2 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TYR | 1 | 1 |
2 | DTY | 1 | 1 |
3 | TYC | 0.694444 | 0.78125 |
4 | PFF | 0.657895 | 0.741935 |
5 | 4BF | 0.615385 | 0.741935 |
6 | PHI | 0.615385 | 0.741935 |
7 | TFQ | 0.595238 | 0.666667 |
8 | 0A1 | 0.585366 | 0.9 |
9 | 7N8 | 0.585366 | 0.666667 |
10 | 4AF | 0.585366 | 0.827586 |
11 | 4CF | 0.571429 | 0.733333 |
12 | PHE | 0.564103 | 0.814815 |
13 | DPN | 0.564103 | 0.814815 |
14 | 34H | 0.564103 | 0.666667 |
15 | PBF | 0.531915 | 0.8 |
16 | PTR | 0.521739 | 0.675 |
17 | AEG | 0.513514 | 0.689655 |
18 | DAH | 0.5 | 0.84375 |
19 | 3NF | 0.478261 | 0.764706 |
20 | TYE | 0.475 | 0.8 |
21 | IYR | 0.468085 | 0.818182 |
22 | YOF | 0.468085 | 0.818182 |
23 | 4HP | 0.447368 | 0.642857 |
24 | 2LT | 0.444444 | 0.794118 |
25 | 485 | 0.442623 | 0.613636 |
26 | E42 | 0.433962 | 0.9 |
27 | 33S | 0.416667 | 0.741935 |
28 | HPP | 0.414634 | 0.655172 |
29 | NAL | 0.411765 | 0.766667 |
30 | AZY | 0.4 | 0.658537 |
This union binding pocket(no: 1) in the query (biounit: 2cyc.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2HO2 | PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU | None |
2 | 1PVN | MZP | 1.06667 |
3 | 5WA0 | MSS | 1.36986 |
4 | 5VAD | 91Y | 1.6 |
5 | 1H82 | GZZ | 1.86667 |
6 | 1H82 | FAD | 1.86667 |
7 | 4Z87 | GDP | 1.86667 |
8 | 2C6Q | NDP | 1.9943 |
9 | 4C3Y | FAD | 2.13333 |
10 | 1EU1 | MGD | 2.4 |
11 | 1E5D | FMN | 2.4 |
12 | 1F5N | GNP | 2.66667 |
13 | 2BVL | GLC | 2.66667 |
14 | 2BVL | UDP | 2.66667 |
15 | 2BII | MTV | 2.66667 |
16 | 4QYS | PLR | 2.93333 |
17 | 2JLD | AG1 | 2.93333 |
18 | 5W4W | 9WG | 3.02115 |
19 | 5LRT | ADP | 3.2 |
20 | 2XGT | NSS | 3.2 |
21 | 1TMO | 2MD | 3.46667 |
22 | 5XIJ | ANP | 3.46667 |
23 | 3RO7 | TDR | 3.46667 |
24 | 5XIJ | 873 | 3.46667 |
25 | 1NV8 | SAM | 3.52113 |
26 | 1NV8 | MEQ | 3.52113 |
27 | 2ADA | HPR | 3.69318 |
28 | 3T4L | ZEA | 3.7037 |
29 | 6CI9 | NAP | 3.861 |
30 | 1JNR | FAD | 4 |
31 | 2F2H | XTG | 4 |
32 | 6C6O | ENG | 4 |
33 | 3LVW | GSH | 4 |
34 | 3B1Q | NOS | 4 |
35 | 3ND6 | ATP | 4.09357 |
36 | 6D6L | FY4 | 4.11765 |
37 | 1O6B | ADP | 4.14201 |
38 | 4ZSY | RW2 | 4.26667 |
39 | 2IU8 | PLM | 4.27807 |
40 | 3GZ8 | APR | 4.32099 |
41 | 3P3G | UKW | 4.33333 |
42 | 3P3G | 3P3 | 4.33333 |
43 | 3LF0 | ATP | 4.38596 |
44 | 3ACL | 3F1 | 4.39189 |
45 | 3PP0 | 03Q | 4.43787 |
46 | 5UKL | SIX | 4.53333 |
47 | 4ONA | UW1 | 4.53333 |
48 | 2NNQ | T4B | 4.58015 |
49 | 3P7N | FMN | 4.65116 |
50 | 4CS4 | AXZ | 4.74453 |
51 | 4X7G | 3Y8 | 4.78088 |
52 | 1F5F | DHT | 4.87805 |
53 | 3A5Z | KAA | 4.87805 |
54 | 4A91 | GLU | 5.03356 |
55 | 3ZLR | X0B | 5.06329 |
56 | 6CUZ | FEV | 5.06667 |
57 | 2V5X | V5X | 5.06667 |
58 | 1EQ2 | NAP | 5.16129 |
59 | 6DZN | AE3 | 5.16432 |
60 | 2CM4 | RCL | 5.33333 |
61 | 4YBN | FAD | 5.35714 |
62 | 4PW9 | MSS | 5.66038 |
63 | 5NUF | NAD | 5.72289 |
64 | 5NUE | NAD | 5.72289 |
65 | 3UC5 | ATP | 5.73248 |
66 | 2HJR | APR | 5.79268 |
67 | 5V49 | MET | 5.86667 |
68 | 5KJW | 53C | 6.13333 |
69 | 1J09 | GLU | 6.13333 |
70 | 4TW7 | 37K | 6.25 |
71 | 1RSG | FAD | 6.4 |
72 | 4EN4 | GT0 | 6.41026 |
73 | 4EN4 | GT1 | 6.41026 |
74 | 4EN4 | ATP | 6.41026 |
75 | 1KQF | MGD | 6.45161 |
76 | 3HQP | FDP | 6.66667 |
77 | 6CC0 | EWM | 6.75105 |
78 | 3NZK | C90 | 6.75241 |
79 | 5MZY | 8EZ | 6.85484 |
80 | 5DJT | FMN | 6.89655 |
81 | 5DJU | FMN | 6.89655 |
82 | 4OYA | 1VE | 6.93333 |
83 | 1RBL | CAP | 7.33945 |
84 | 2O3Z | AI7 | 7.38007 |
85 | 1S4M | LUM | 7.50853 |
86 | 1JNQ | EGT | 7.73333 |
87 | 3TAY | MN0 | 7.97546 |
88 | 5TH5 | 7C5 | 8.36502 |
89 | 1R27 | MGD | 8.53333 |
90 | 5D48 | L96 | 8.55263 |
91 | 1QIN | GIP | 8.74317 |
92 | 6GW4 | CHO | 8.79479 |
93 | 5BV6 | 35G | 9.21053 |
94 | 6E2B | PT7 | 9.21053 |
95 | 4QAC | KK3 | 9.21659 |
96 | 4BNU | 9KQ | 10.0372 |
97 | 5HZ9 | 5M8 | 10.3704 |
98 | 4NG2 | OHN | 10.6195 |
99 | 1DMR | PGD | 10.6667 |
100 | 5U3B | 7TD | 10.7023 |
101 | 5SVV | FMN | 11.6788 |
102 | 5WRJ | A3P | 12.2112 |
103 | 5XK9 | GST | 12.931 |
104 | 2PR5 | FMN | 13.6364 |
105 | 2IV2 | 2MD | 14.4 |
106 | 2IV2 | MGD | 14.4 |
107 | 2Y8L | AMP | 14.4509 |
108 | 2Y8L | ADP | 14.4509 |
109 | 2V92 | ATP | 15.9236 |
110 | 2V92 | AMP | 15.9236 |
111 | 4J75 | TYM | 18.4 |
112 | 6GG9 | FMN | 19.1358 |
113 | 2G36 | TRP | 22.0588 |
114 | 1R6T | TYM | 25.0667 |
115 | 1R6U | TYM | 25.0667 |
116 | 3QXV | MTX | 25.3968 |
117 | 5DK4 | ATP | 32.5228 |
118 | 5DK4 | 5BX | 32.5228 |
This union binding pocket(no: 2) in the query (biounit: 2cyc.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3PE2 | E1B | 2.07715 |
2 | 2RKV | COA | 2.4 |
3 | 1QMG | APX | 2.93333 |
4 | 6BYM | HC3 | 3.44828 |
5 | 5ABH | YWN | 3.46667 |
6 | 2V0U | FMN | 4.10959 |
7 | 4K2G | 1OQ | 4.26667 |
8 | 4KCT | FDP | 4.26667 |
9 | 5O0B | 9FE | 4.32099 |
10 | 6F9Q | NAD | 4.41176 |
11 | 2X6T | NAP | 4.48179 |
12 | 3D72 | FAD | 4.69799 |
13 | 3CTL | S6P | 4.7619 |
14 | 3TWO | NDP | 4.88506 |
15 | 5KBF | CMP | 5.31561 |
16 | 1PNO | NAP | 5.55556 |
17 | 5L4S | NAP | 6.28931 |
18 | 5L4S | 6KX | 6.28931 |
19 | 1X54 | 4AD | 6.66667 |
20 | 3T6E | UQ9 | 8.66873 |
21 | 2ZOF | BES | 9.06667 |
22 | 1N07 | FMN | 9.20245 |
23 | 2Y5D | NAP | 9.86667 |
24 | 2Z6D | FMN | 10 |
25 | 2AZC | 3TL | 10.101 |
26 | 5K8S | CMP | 10.8108 |
27 | 2NYA | MGD | 15.4667 |
28 | 4C2V | YJA | 18.9474 |
29 | 5M45 | AMP | 26.1905 |