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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 2 families. | |||||
1 | 1H70 | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1H70 | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CIR | 1 | 1 |
2 | ARG | 0.735294 | 0.763158 |
3 | DAR | 0.735294 | 0.763158 |
4 | ILO | 0.631579 | 0.675 |
5 | HAR | 0.6 | 0.681818 |
6 | NMM | 0.6 | 0.725 |
7 | 4JK | 0.6 | 0.725 |
8 | VUR | 0.6 | 0.7 |
9 | ONH | 0.6 | 0.619048 |
10 | WT2 | 0.585366 | 0.783784 |
11 | 3AR | 0.571429 | 0.690476 |
12 | DA2 | 0.571429 | 0.617021 |
13 | PAO | 0.571429 | 0.615385 |
14 | 2MR | 0.55814 | 0.707317 |
15 | VIO | 0.55814 | 0.627907 |
16 | 3KJ | 0.55814 | 0.6 |
17 | 2YH | 0.55814 | 0.810811 |
18 | 1KJ | 0.545455 | 0.652174 |
19 | JM2 | 0.545455 | 0.636364 |
20 | AAR | 0.540541 | 0.675 |
21 | RPI | 0.533333 | 0.627451 |
22 | 2YJ | 0.533333 | 0.769231 |
23 | API | 0.53125 | 0.685714 |
24 | LN6 | 0.521739 | 0.627907 |
25 | HRG | 0.512195 | 0.763158 |
26 | ALY | 0.512195 | 0.74359 |
27 | JM7 | 0.510638 | 0.636364 |
28 | JM8 | 0.510204 | 0.622222 |
29 | 2KJ | 0.5 | 0.638298 |
30 | AS1 | 0.5 | 0.738095 |
31 | D20 | 0.5 | 0.652174 |
32 | OLN | 0.488372 | 0.894737 |
33 | ORN | 0.485714 | 0.735294 |
34 | JM4 | 0.48 | 0.608696 |
35 | JM6 | 0.48 | 0.608696 |
36 | MLZ | 0.475 | 0.634146 |
37 | JM5 | 0.470588 | 0.622222 |
38 | DLY | 0.459459 | 0.714286 |
39 | UN1 | 0.459459 | 0.638889 |
40 | 11C | 0.459459 | 0.638889 |
41 | DHH | 0.447368 | 0.621622 |
42 | LYS | 0.447368 | 0.694444 |
43 | 0TF | 0.4375 | 0.769231 |
44 | NPI | 0.435897 | 0.621622 |
45 | 2YG | 0.428571 | 0.769231 |
46 | LBY | 0.428571 | 0.688889 |
47 | 6CL | 0.425 | 0.666667 |
48 | 5CT | 0.416667 | 0.658537 |
49 | HSE | 0.411765 | 0.605263 |
50 | DAB | 0.411765 | 0.666667 |
51 | HCS | 0.4 | 0.611111 |
This union binding pocket(no: 1) in the query (biounit: 1h70.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2JDU | MFU | None |
2 | 2O5L | MNR | 1.96078 |
3 | 4A22 | TD4 | 1.96078 |
4 | 4UFH | GIF | 1.96078 |
5 | 3OBK | PBG | 1.96078 |
6 | 6CUZ | FEV | 2.35294 |
7 | 3LZW | FAD | 2.35294 |
8 | 4CU7 | GIF | 2.35294 |
9 | 6AM8 | PLT | 2.35294 |
10 | 3IID | APR | 2.36967 |
11 | 1VKF | CIT | 2.65957 |
12 | 1WDA | BAG | 2.7451 |
13 | 1COY | FAD | 2.7451 |
14 | 4KWI | NAP | 2.7451 |
15 | 4KWI | 1TJ | 2.7451 |
16 | 2ZB3 | NDP | 2.7451 |
17 | 5LX9 | OLB | 3.13725 |
18 | 4UDB | CV7 | 3.52941 |
19 | 6G1P | CIT | 3.52941 |
20 | 5L7G | 6QE | 3.52941 |
21 | 1P7L | MET | 3.52941 |
22 | 5AK8 | ALA ARG | 3.92157 |
23 | 4KQI | RBZ | 3.92157 |
24 | 4KQI | NIO | 3.92157 |
25 | 5YB7 | ORN | 3.92157 |
26 | 4Y30 | SAH | 3.92157 |
27 | 4B2Z | P5S | 3.92157 |
28 | 5O98 | NAP | 4.31373 |
29 | 2FYF | PLP | 4.31373 |
30 | 3ZLR | X0B | 4.43038 |
31 | 2Y9G | LAT | 4.66667 |
32 | 2Y9G | LBT | 4.66667 |
33 | 1EU8 | TRE | 4.70588 |
34 | 1PNO | NAP | 5 |
35 | 1YNH | SUO | 5.09804 |
36 | 4UXL | 5P8 | 5.09804 |
37 | 4HCX | NDP | 5.4902 |
38 | 1YKD | CMP | 6.27451 |
39 | 3QT6 | 2P0 | 6.27451 |
40 | 3GPO | APR | 6.54762 |
41 | 1U1J | MET | 6.66667 |
42 | 4BIX | ADP | 6.66667 |
43 | 4L9Z | OXL | 6.66667 |
44 | 1Y7P | RIP | 6.72646 |
45 | 2FZH | DH1 | 6.79612 |
46 | 2Q97 | ATP | 6.97674 |
47 | 2BIW | 3ON | 7.05882 |
48 | 5A89 | ADP | 7.69231 |
49 | 3CTL | S6P | 7.79221 |
50 | 5XWV | 8H6 | 7.84314 |
51 | 5XWV | NDP | 7.84314 |
52 | 3HRD | MCN | 8.23529 |
53 | 4N65 | FMN | 8.49057 |
54 | 4IVN | BMX | 9.80392 |
55 | 2ZB4 | 5OP | 10.5882 |
56 | 2ZB4 | NAP | 10.5882 |
57 | 3ZVS | MLI | 10.625 |
58 | 2ORV | 4TA | 11.5385 |
59 | 4D9M | 0JO | 12.1569 |
60 | 1YOK | P6L | 12.9412 |
61 | 6CQF | F97 | 12.9412 |
62 | 4PIV | 2W4 | 13.7255 |
63 | 6B2W | AG2 | 15.2941 |
64 | 4WGF | HX2 | 17.561 |
65 | 1W4R | TTP | 22.0513 |
66 | 2A9G | ARG | 27.8431 |