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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 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 | 5NSF | - | 96Z | C13 H15 N O2 | C1C=CC2=CC.... |
15 | 3N2Y | - | TEF | C10 H11 N5 O2 | c1cc(ccc1C.... |
16 | 6WRN | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
17 | 1ZH6 | - | 4AF | C11 H13 N O3 | CC(=O)c1cc.... |
18 | 4PBS | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
19 | 6WRK | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
20 | 1ZH0 | - | NAL | C13 H13 N O2 | c1ccc2cc(c.... |
21 | 6WRQ | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
22 | 6WRT | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
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 | 5NSF | - | 96Z | C13 H15 N O2 | C1C=CC2=CC.... |
15 | 3N2Y | - | TEF | C10 H11 N5 O2 | c1cc(ccc1C.... |
16 | 6WRN | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
17 | 1ZH6 | - | 4AF | C11 H13 N O3 | CC(=O)c1cc.... |
18 | 4PBS | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
19 | 6WRK | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
20 | 1ZH0 | - | NAL | C13 H13 N O2 | c1ccc2cc(c.... |
21 | 6WRQ | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
22 | 6WRT | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
23 | 2CYC | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
24 | 1Q11 | - | TYE | C9 H13 N O2 | c1cc(ccc1C.... |
25 | 5THH | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
26 | 3VGJ | - | TYR AMP | n/a | n/a |
27 | 2J5B | - | TYE | C9 H13 N O2 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PBF | 1 | 1 |
2 | PHE | 0.577778 | 0.814815 |
3 | DPN | 0.577778 | 0.814815 |
4 | 4AF | 0.5625 | 0.892857 |
5 | DTY | 0.531915 | 0.8 |
6 | TYR | 0.531915 | 0.8 |
7 | PFF | 0.520833 | 0.6875 |
8 | 0A1 | 0.5 | 0.727273 |
9 | 4BF | 0.489796 | 0.6875 |
10 | PHI | 0.489796 | 0.6875 |
11 | 7N8 | 0.470588 | 0.621622 |
12 | 4CF | 0.461538 | 0.733333 |
13 | TFQ | 0.45283 | 0.666667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | F5A | 0.9275 |
2 | D1L | 0.9110 |
3 | DP8 | 0.9083 |
4 | QTK | 0.8999 |
5 | 1V6 | 0.8996 |
6 | HGK | 0.8916 |
7 | T3 | 0.8912 |
8 | M5A | 0.8877 |
9 | 5PP | 0.8854 |
10 | OZM | 0.8819 |
11 | BSB | 0.8800 |
12 | JPA | 0.8796 |
13 | 4PG | 0.8776 |
14 | FSB | 0.8750 |
15 | GA6 | 0.8732 |
16 | SBW | 0.8714 |
17 | PB2 | 0.8708 |
18 | RCF | 0.8698 |
19 | E90 | 0.8683 |
20 | F5N | 0.8676 |
21 | JPL | 0.8661 |
22 | AT2 | 0.8652 |
23 | T11 | 0.8650 |
24 | IO2 | 0.8632 |
25 | OYS | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 5n5u.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5n5u.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5n5u.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5n5u.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |