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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 67 families. | |||||
1 | 4WO4 | - | JLS | C48 H93 N O9 | CCCCCCCCCC.... |
2 | 3RUG | Kd = 4.4 uM | DB6 | C44 H83 N O9 | CCCCCCCCCC.... |
3 | 3HUJ | - | AGH | C50 H99 N O9 | CCCCCCCCCC.... |
4 | 3QI9 | - | PII | C42 H81 O13 P | CCCCCCCCCC.... |
5 | 3SCM | - | LGN | C62 H117 N O18 | CCCCCCCCCC.... |
6 | 6CXE | - | EM4 | C52 H94 N2 O10 | CCCCCCCCCC.... |
7 | 6CXF | - | ELS | C51 H92 N2 O10 | CCCCCCCCCC.... |
8 | 6CX9 | - | EM4 | C52 H94 N2 O10 | CCCCCCCCCC.... |
9 | 6MJI | - | JTD | C54 H105 N O9 | CCCCCCCCCC.... |
10 | 6CW9 | - | 7LM | C36 H63 N O9 | CCCCCCCC(=.... |
11 | 6MJ4 | - | JTG | C53 H103 N O9 | CCCCCCCCCC.... |
12 | 6MIV | - | JU1 | C61 H113 N O9 | CCCCCCCCCC.... |
13 | 3QUZ | Kd = 39.6 nM | QUV | C61 H107 N3 O9 | CCCCCCCCCC.... |
14 | 6MJA | - | JTJ | C58 H107 N O9 | CCCCCCCCCC.... |
15 | 6MJ6 | - | JTM | C57 H104 Cl N O9 | CCCCCCCCCC.... |
16 | 6CX5 | - | FJM | C36 H62 N2 O10 | CCCCCCCC(=.... |
17 | 3QUY | Kd = 187 nM | QUY | C57 H104 N2 O9 | CCCCCCCCCC.... |
18 | 6MJJ | - | JU4 | C57 H103 Cl2 N O9 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 45 families. | |||||
1 | 4WO4 | - | JLS | C48 H93 N O9 | CCCCCCCCCC.... |
2 | 6CUG | - | CUY | C42 H84 O2 | CCCCCCCCCC.... |
3 | 3RUG | Kd = 4.4 uM | DB6 | C44 H83 N O9 | CCCCCCCCCC.... |
4 | 3HUJ | - | AGH | C50 H99 N O9 | CCCCCCCCCC.... |
5 | 3QI9 | - | PII | C42 H81 O13 P | CCCCCCCCCC.... |
6 | 3SCM | - | LGN | C62 H117 N O18 | CCCCCCCCCC.... |
7 | 6CXE | - | EM4 | C52 H94 N2 O10 | CCCCCCCCCC.... |
8 | 6CXF | - | ELS | C51 H92 N2 O10 | CCCCCCCCCC.... |
9 | 6CX9 | - | EM4 | C52 H94 N2 O10 | CCCCCCCCCC.... |
10 | 6MJI | - | JTD | C54 H105 N O9 | CCCCCCCCCC.... |
11 | 6CW9 | - | 7LM | C36 H63 N O9 | CCCCCCCC(=.... |
12 | 6MJ4 | - | JTG | C53 H103 N O9 | CCCCCCCCCC.... |
13 | 6MIV | - | JU1 | C61 H113 N O9 | CCCCCCCCCC.... |
14 | 3QUZ | Kd = 39.6 nM | QUV | C61 H107 N3 O9 | CCCCCCCCCC.... |
15 | 6MJA | - | JTJ | C58 H107 N O9 | CCCCCCCCCC.... |
16 | 6MJ6 | - | JTM | C57 H104 Cl N O9 | CCCCCCCCCC.... |
17 | 6CX5 | - | FJM | C36 H62 N2 O10 | CCCCCCCC(=.... |
18 | 3QUY | Kd = 187 nM | QUY | C57 H104 N2 O9 | CCCCCCCCCC.... |
19 | 6MJJ | - | JU4 | C57 H103 Cl2 N O9 | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LGN | 1 | 1 |
2 | IGC | 1 | 1 |
3 | BGC 18C GAL | 0.913979 | 1 |
4 | 03F | 0.72449 | 0.964286 |
5 | SLF | 0.647619 | 0.753425 |
6 | EIS | 0.647619 | 0.753425 |
7 | BGC 18C GAL SIA | 0.634328 | 0.903226 |
8 | BGC SPH GAL OCA | 0.633027 | 0.931035 |
9 | CIS | 0.62963 | 0.753425 |
10 | BGC 18C GAL SIA NGA GAL | 0.594595 | 0.903226 |
11 | BGC 16C GAL SIA | 0.583942 | 0.903226 |
12 | 0SG | 0.580357 | 0.739726 |
13 | JLS | 0.544643 | 0.929825 |
14 | GGD | 0.533898 | 0.789474 |
15 | DB6 | 0.525424 | 0.929825 |
16 | BGC SPH GAL OLA | 0.522124 | 0.896552 |
17 | BGC SPH GAL DAO | 0.522124 | 0.896552 |
18 | GM3 | 0.514019 | 0.928571 |
19 | F61 | 0.504587 | 0.912281 |
20 | 0SH | 0.504587 | 0.912281 |
21 | AGH | 0.504587 | 0.912281 |
22 | FEE | 0.504587 | 0.912281 |
23 | PBS | 0.504587 | 0.912281 |
24 | SFT | 0.495798 | 0.753425 |
25 | LMT | 0.48 | 0.75 |
26 | LMU | 0.48 | 0.75 |
27 | UMQ | 0.48 | 0.75 |
28 | DMU | 0.48 | 0.75 |
29 | GAL SPH EIC | 0.475 | 0.896552 |
30 | 1PX | 0.456311 | 0.636364 |
31 | 1PZ | 0.456311 | 0.636364 |
32 | JTG | 0.45 | 0.913793 |
33 | BGC ERA GAL | 0.442748 | 0.915254 |
34 | C8P | 0.440945 | 0.913793 |
35 | C1Q | 0.440945 | 0.913793 |
36 | 7LM | 0.440945 | 0.913793 |
37 | GAL SPH NER | 0.440678 | 0.87931 |
38 | 1O2 | 0.435897 | 0.754386 |
39 | JTD | 0.434426 | 0.896552 |
40 | C6Q | 0.433071 | 0.913793 |
41 | 3TF | 0.432203 | 0.754386 |
42 | C8F | 0.429688 | 0.854839 |
43 | ELS | 0.427481 | 0.870968 |
44 | 6UZ | 0.424528 | 0.666667 |
45 | SPL | 0.424242 | 0.732143 |
46 | 18C | 0.424242 | 0.732143 |
47 | 16C | 0.424242 | 0.732143 |
48 | NAG GAL GAL | 0.420561 | 0.741379 |
49 | 1L2 | 0.419355 | 0.754386 |
50 | GLC NBU GAL GLA | 0.417476 | 0.696429 |
51 | EM4 | 0.411765 | 0.868852 |
52 | FJM | 0.411765 | 0.868852 |
53 | JTJ | 0.410853 | 0.931035 |
54 | JTM | 0.407692 | 0.870968 |
55 | 6CM | 0.405941 | 0.732143 |
56 | BGC GAL GLA NGA GAL | 0.405172 | 0.741379 |
57 | JU1 | 0.40458 | 0.885246 |
58 | 7LP | 0.404412 | 0.868852 |
59 | BGC 5VQ GAL GLA | 0.401961 | 0.660714 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3scm.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3TDC | 0EU | 6.06061 |