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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 17 families. | |||||
1 | 4Z46 | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
2 | 4YEO | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
3 | 6WRM | - | U8G | C14 H23 N3 O4 Rh | CC(C)(C)OC.... |
4 | 1AT5 | Kd = 0.0000666 M | NAG NAG NAG | n/a | n/a |
5 | 4OWA | - | QPT | C6 H12 N2 O4 Pt | C1CC2(C1)C.... |
6 | 1LZY | - | NDG NAG | n/a | n/a |
7 | 3A3Q | - | NAG NAG NAG | n/a | n/a |
8 | 4HP0 | Kd = 0.76 uM | NAG NOJ NAG NAG | n/a | n/a |
9 | 6BO1 | - | E3D | C9 H10 Cl2 N2 Ru | Cn1c2ccccc.... |
10 | 6SYD | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
11 | 6QEA | - | J9H | C17 H18 N3 Pt | Cc1ccc2ccc.... |
12 | 6GOH | - | F7T | C15 H15 Cl2 N3 O3 Pt S | c1ccc2c(c1.... |
13 | 1HEW | Kd = 10 uM | NAG NAG NAG | n/a | n/a |
14 | 6QNB | - | NAG NAG NAG | n/a | n/a |
15 | 3QE8 | - | REI | C6 H6 N2 O4 Re | C1=C[N](=C.... |
16 | 4XN6 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
17 | 1LZB | Kd = 13 uM | NAG NAG NAG | n/a | n/a |
18 | 2H9K | - | MM6 | C10 H20 N4 Ni | C1CN2CCN3[.... |
19 | 4TUN | - | MVH | C6 H12 N O5 P | CC(=CC(=O).... |
20 | 5NJP | - | NAG NAG NAG | n/a | n/a |
21 | 4Z41 | - | 4KV | C13 H18 Cl O3 Pt S3 | CCSC1=[S][.... |
22 | 1T3P | - | RU7 | C10 H14 Cl2 Ru | CC(C)C12=[.... |
23 | 5NJQ | - | NAG NAG NAG | n/a | n/a |
24 | 1LZC | - | NAG NAG NAG NAG | n/a | n/a |
25 | 4HPI | Kd = 14.2 uM | NAG NOJ NAG | n/a | n/a |
26 | 2H9J | - | MM5 | C28 H48 N8 Ni2 | c1cc(ccc1C.... |
27 | 6TVL | - | NYN | C8 H16 N2 Ru S3 | C1C[N-][Ru.... |
28 | 4XEN | - | NAG NAG NAG NAG | n/a | n/a |
29 | 1UIB | - | NAG NAG NAG | n/a | n/a |
30 | 6SYE | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
31 | 6RNB | - | NAG NAG NAG | n/a | n/a |
32 | 5NJR | - | NAG NAG NAG | n/a | n/a |
33 | 4ZEE | Kd = 1.51 mM | 1PT | C6 H14 N2 Pt | C1CC[C@@H].... |
34 | 4PRQ | - | T3Y | C28 H24 O16 S4 | c1c(cc2c(c.... |
35 | 3TXJ | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
36 | 1JEF | - | NAG NAG NAG | n/a | n/a |
37 | 1YIK | - | MM1 | C10 H24 Cu N4 | C1C[N@@H]2.... |
38 | 1LZG | Kd = 0.14 mM | NAG NAG | n/a | n/a |
39 | 3QNG | - | REJ | C6 H6 N O6 Re | C([C@H]1C(.... |
40 | 6FSJ | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 1LJN | - | NAG NAG | n/a | n/a |
42 | 6SYC | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
43 | 5NJS | - | NAG NAG NAG | n/a | n/a |
44 | 1YL1 | - | ETF | C2 H3 F3 O | C(C(F)(F)F.... |
45 | 1B0D | - | TSU | C7 H8 O3 S | Cc1ccc(cc1.... |
46 | 1LZE | Kd = 83 uM | NAG NAG NAG NAG | n/a | n/a |
47 | 4Z3M | - | 4KV | C13 H18 Cl O3 Pt S3 | CCSC1=[S][.... |
48 | 1UIH | - | NAG NAG NAG | n/a | n/a |
49 | 1AT6 | Kd = 0.000085 M | NAG NAG NAG | n/a | n/a |
50 | 1YIL | - | MM2 | C28 H54 Cu2 N8 | c1cc(ccc1C.... |
51 | 6BO2 | - | E3D | C9 H10 Cl2 N2 Ru | Cn1c2ccccc.... |
52 | 2PC2 | - | PDC | C7 H5 N O4 | c1cc(nc(c1.... |
53 | 4N8Z | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
54 | 5B5J | - | UTX | C21 H29 B12 N6 O5 S | B1234B567B.... |
55 | 6RNC | - | NAG NAG NAG | n/a | n/a |
56 | 6GOB | - | F6Q | C15 H15 Cl2 N3 O3 Pd S | c1ccc2c(c1.... |
57 | 1LMP | - | NDG NAG NAG | n/a | n/a |
58 | 1BB6 | Ka = 500000 M^-1 | UMG | C34 H47 N3 O18 | CC1=CC(=O).... |
59 | 1LMO | - | NAG NAG | n/a | n/a |
60 | 1BB7 | Ka = 15000 M^-1 | GUM | C26 H34 N2 O13 | CC1=CC(=O).... |
61 | 1LMQ | - | NDG NAG NAG NAG | n/a | n/a |
62 | 1LMC | - | BUL | C16 H29 N3 O14 S2 | CC(=O)N[C@.... |
63 | 1LZR | - | NAG NAG NAG NAG | n/a | n/a |
64 | 1LZS | - | NAG NAG | n/a | n/a |
65 | 1LMT | - | NAG NAG NAG | n/a | n/a |
66 | 1BB5 | - | NAG NAG NAG | n/a | n/a |
67 | 1LSZ | - | NDG NAG NAG NAG | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 4Z46 | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
2 | 4YEO | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
3 | 6WRM | - | U8G | C14 H23 N3 O4 Rh | CC(C)(C)OC.... |
4 | 1AT5 | Kd = 0.0000666 M | NAG NAG NAG | n/a | n/a |
5 | 4OWA | - | QPT | C6 H12 N2 O4 Pt | C1CC2(C1)C.... |
6 | 1LZY | - | NDG NAG | n/a | n/a |
7 | 3A3Q | - | NAG NAG NAG | n/a | n/a |
8 | 4HP0 | Kd = 0.76 uM | NAG NOJ NAG NAG | n/a | n/a |
9 | 6BO1 | - | E3D | C9 H10 Cl2 N2 Ru | Cn1c2ccccc.... |
10 | 6SYD | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
11 | 6QEA | - | J9H | C17 H18 N3 Pt | Cc1ccc2ccc.... |
12 | 6GOH | - | F7T | C15 H15 Cl2 N3 O3 Pt S | c1ccc2c(c1.... |
13 | 1HEW | Kd = 10 uM | NAG NAG NAG | n/a | n/a |
14 | 6QNB | - | NAG NAG NAG | n/a | n/a |
15 | 3QE8 | - | REI | C6 H6 N2 O4 Re | C1=C[N](=C.... |
16 | 4XN6 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
17 | 1LZB | Kd = 13 uM | NAG NAG NAG | n/a | n/a |
18 | 2H9K | - | MM6 | C10 H20 N4 Ni | C1CN2CCN3[.... |
19 | 4TUN | - | MVH | C6 H12 N O5 P | CC(=CC(=O).... |
20 | 5NJP | - | NAG NAG NAG | n/a | n/a |
21 | 4Z41 | - | 4KV | C13 H18 Cl O3 Pt S3 | CCSC1=[S][.... |
22 | 1T3P | - | RU7 | C10 H14 Cl2 Ru | CC(C)C12=[.... |
23 | 5NJQ | - | NAG NAG NAG | n/a | n/a |
24 | 1LZC | - | NAG NAG NAG NAG | n/a | n/a |
25 | 4HPI | Kd = 14.2 uM | NAG NOJ NAG | n/a | n/a |
26 | 2H9J | - | MM5 | C28 H48 N8 Ni2 | c1cc(ccc1C.... |
27 | 6TVL | - | NYN | C8 H16 N2 Ru S3 | C1C[N-][Ru.... |
28 | 4XEN | - | NAG NAG NAG NAG | n/a | n/a |
29 | 1UIB | - | NAG NAG NAG | n/a | n/a |
30 | 6SYE | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
31 | 6RNB | - | NAG NAG NAG | n/a | n/a |
32 | 5NJR | - | NAG NAG NAG | n/a | n/a |
33 | 4ZEE | Kd = 1.51 mM | 1PT | C6 H14 N2 Pt | C1CC[C@@H].... |
34 | 4PRQ | - | T3Y | C28 H24 O16 S4 | c1c(cc2c(c.... |
35 | 3TXJ | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
36 | 1JEF | - | NAG NAG NAG | n/a | n/a |
37 | 1YIK | - | MM1 | C10 H24 Cu N4 | C1C[N@@H]2.... |
38 | 1LZG | Kd = 0.14 mM | NAG NAG | n/a | n/a |
39 | 3QNG | - | REJ | C6 H6 N O6 Re | C([C@H]1C(.... |
40 | 6FSJ | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 1LJN | - | NAG NAG | n/a | n/a |
42 | 6SYC | - | LYE | C19 H10 Br4 O5 S | c1ccc(c(c1.... |
43 | 5NJS | - | NAG NAG NAG | n/a | n/a |
44 | 1YL1 | - | ETF | C2 H3 F3 O | C(C(F)(F)F.... |
45 | 1B0D | - | TSU | C7 H8 O3 S | Cc1ccc(cc1.... |
46 | 1LZE | Kd = 83 uM | NAG NAG NAG NAG | n/a | n/a |
47 | 4Z3M | - | 4KV | C13 H18 Cl O3 Pt S3 | CCSC1=[S][.... |
48 | 1UIH | - | NAG NAG NAG | n/a | n/a |
49 | 1AT6 | Kd = 0.000085 M | NAG NAG NAG | n/a | n/a |
50 | 1YIL | - | MM2 | C28 H54 Cu2 N8 | c1cc(ccc1C.... |
51 | 6BO2 | - | E3D | C9 H10 Cl2 N2 Ru | Cn1c2ccccc.... |
52 | 2PC2 | - | PDC | C7 H5 N O4 | c1cc(nc(c1.... |
53 | 4N8Z | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
54 | 5B5J | - | UTX | C21 H29 B12 N6 O5 S | B1234B567B.... |
55 | 6RNC | - | NAG NAG NAG | n/a | n/a |
56 | 6GOB | - | F6Q | C15 H15 Cl2 N3 O3 Pd S | c1ccc2c(c1.... |
57 | 1LMP | - | NDG NAG NAG | n/a | n/a |
58 | 1BB6 | Ka = 500000 M^-1 | UMG | C34 H47 N3 O18 | CC1=CC(=O).... |
59 | 1LMO | - | NAG NAG | n/a | n/a |
60 | 1BB7 | Ka = 15000 M^-1 | GUM | C26 H34 N2 O13 | CC1=CC(=O).... |
61 | 1LMQ | - | NDG NAG NAG NAG | n/a | n/a |
62 | 1LMC | - | BUL | C16 H29 N3 O14 S2 | CC(=O)N[C@.... |
63 | 1LZR | - | NAG NAG NAG NAG | n/a | n/a |
64 | 1LZS | - | NAG NAG | n/a | n/a |
65 | 1LMT | - | NAG NAG NAG | n/a | n/a |
66 | 1BB5 | - | NAG NAG NAG | n/a | n/a |
67 | 6T6C | - | NAG NAG NAG NAG | n/a | n/a |
68 | 2H5Z | - | NAG NAG NAG | n/a | n/a |
69 | 1LSZ | - | NDG NAG NAG NAG | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAG NAG | 1 | 1 |
2 | GDL NAG | 0.608696 | 0.979592 |
3 | NAG GCS GCS | 0.607595 | 0.921569 |
4 | NAG GAL | 0.588235 | 0.918367 |
5 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.575342 | 0.96 |
6 | NDG NAG NAG NAG NAG | 0.575342 | 0.96 |
7 | NAG NAG NAG NAG NAG NAG | 0.575342 | 0.96 |
8 | NAG NAG NAG NAG NAG | 0.575342 | 0.96 |
9 | NAG GAL GAL | 0.519481 | 0.918367 |
10 | NAG NAG NAG TMX | 0.518519 | 0.813559 |
11 | NAG GAL NAG | 0.506173 | 0.979592 |
12 | NAG GAL FUC A2G | 0.5 | 0.938776 |
13 | NAG G6S | 0.5 | 0.707692 |
14 | ASG | 0.492754 | 0.646154 |
15 | NAG GAL NAG GAL | 0.488095 | 0.979592 |
16 | NAG GAL NAG GAL NAG GAL | 0.488095 | 0.96 |
17 | KPM | 0.483146 | 0.886792 |
18 | SN5 SN5 | 0.473684 | 0.811321 |
19 | NAG GAL UNU | 0.45977 | 0.921569 |
20 | NAG NAG MAN MAN MAN | 0.452632 | 0.979592 |
21 | NAG NAG BMA MAN NAG | 0.451613 | 0.96 |
22 | NAG GAL FUC GLA | 0.449438 | 0.938776 |
23 | NAG GAL BEK | 0.431579 | 0.827586 |
24 | NDG | 0.430769 | 0.816327 |
25 | BM3 | 0.430769 | 0.816327 |
26 | NAG | 0.430769 | 0.816327 |
27 | A2G | 0.430769 | 0.816327 |
28 | HSQ | 0.430769 | 0.816327 |
29 | NGA | 0.430769 | 0.816327 |
30 | NAG GAL BGC GAL | 0.430233 | 0.918367 |
31 | NAG BMA MAN MAN MAN MAN | 0.421053 | 0.918367 |
32 | ASG GC4 | 0.41573 | 0.681818 |
33 | NAG GCU NAG GCD | 0.413462 | 0.907407 |
34 | NDG NAG | 0.4125 | 0.96 |
35 | GAL NAG GAL | 0.411765 | 0.918367 |
36 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.41 | 0.918367 |
37 | NAG GAL SIA | 0.407767 | 0.942308 |
38 | BGC GAL NGA | 0.404762 | 0.918367 |
39 | TVD GAL | 0.402597 | 0.96 |
40 | NAG NAG NAG NAG NAG NAG NAG | 0.402299 | 0.924528 |
41 | NAG NAG NAG | 0.402299 | 0.924528 |
42 | NAG NAG NAG NAG | 0.402299 | 0.924528 |
43 | MBG A2G | 0.4 | 0.92 |
44 | NAG NOJ NAG NAG | 0.4 | 0.875 |
45 | MAN NAG GAL | 0.4 | 0.918367 |
46 | NAG NOJ NAG | 0.4 | 0.890909 |
This union binding pocket(no: 1) in the query (biounit: 1bb6.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |