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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 214 families. | |||||
1 | 5IU7 | Ki = 1.1 nM | 6DY | C21 H24 N8 O | c1ccc(cc1).... |
2 | 6ZDV | - | QGW | C19 H19 N O4 S | CCCc1cc2c(.... |
3 | 5K2C | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
4 | 4EIY | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
5 | 6JZH | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
6 | 6LPJ | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
7 | 5K2B | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
8 | 5IUA | Ki = 1.5 nM | 6DX | C21 H25 N9 O | c1ccc(cc1).... |
9 | 6LPK | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
10 | 5OLV | Kd = 320 nM | 9Y2 | C16 H17 F2 N3 O2 S | CC(C)(C)CC.... |
11 | 5IU4 | Ki = 0.53 nM | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
12 | 6PS7 | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
13 | 6LPL | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
14 | 5OM1 | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
15 | 5IUB | Ki = 0.35 nM | 6DV | C20 H21 F2 N9 O | c1cc(oc1)c.... |
16 | 6ZDR | - | QGE | C18 H17 N O4 S | CCCc1cc2c(.... |
17 | 5K2D | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
18 | 5VRA | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
19 | 5OM4 | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
20 | 5IU8 | Ki = 18 nM | 6DZ | C15 H21 N9 O | CN1CCN(CC1.... |
21 | 5MZP | - | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
22 | 5MZJ | - | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
23 | 5OLG | Kd = 2.5 nM | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
24 | 5K2A | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
25 | 5OLZ | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 5WIU | - | AQD | C21 H26 Cl N3 O2 | C[C@@H]1[C.... |
2 | 5WIV | - | AQD | C21 H26 Cl N3 O2 | C[C@@H]1[C.... |
3 | 5IU7 | Ki = 1.1 nM | 6DY | C21 H24 N8 O | c1ccc(cc1).... |
4 | 6ZDV | - | QGW | C19 H19 N O4 S | CCCc1cc2c(.... |
5 | 5K2C | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
6 | 4EIY | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
7 | 6JZH | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
8 | 6LPJ | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
9 | 5K2B | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
10 | 5IUA | Ki = 1.5 nM | 6DX | C21 H25 N9 O | c1ccc(cc1).... |
11 | 6LPK | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
12 | 5OLV | Kd = 320 nM | 9Y2 | C16 H17 F2 N3 O2 S | CC(C)(C)CC.... |
13 | 5IU4 | Ki = 0.53 nM | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
14 | 6PS7 | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
15 | 6LPL | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
16 | 5OM1 | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
17 | 5IUB | Ki = 0.35 nM | 6DV | C20 H21 F2 N9 O | c1cc(oc1)c.... |
18 | 6ZDR | - | QGE | C18 H17 N O4 S | CCCc1cc2c(.... |
19 | 5K2D | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
20 | 5VRA | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
21 | 5OM4 | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
22 | 5IU8 | Ki = 18 nM | 6DZ | C15 H21 N9 O | CN1CCN(CC1.... |
23 | 5MZP | - | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
24 | 5MZJ | - | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
25 | 5OLG | Kd = 2.5 nM | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
26 | 5K2A | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
27 | 5OLZ | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
28 | 4PXZ | - | 6AD | C11 H17 N5 O10 P2 S | CSc1nc(c2c.... |
29 | 5ZKC | Kd = 6.4 nM | 3C0 | C18 H24 N O4 | C[N+]1([C@.... |
30 | 5YC8 | Kd = 6.4 nM | 3C0 | C18 H24 N O4 | C[N+]1([C@.... |
31 | 6RZ7 | - | KNW | C30 H30 Cl F N2 O7 | c1cc(c2c(c.... |
32 | 6RZ6 | - | KNW | C30 H30 Cl F N2 O7 | c1cc(c2c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | T4E | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EVU | 0.9298 |
2 | 1ZQ | 0.9286 |
3 | 4BH | 0.9108 |
4 | I46 | 0.9102 |
5 | GDK | 0.9064 |
6 | 583 | 0.9035 |
7 | KKV | 0.9006 |
8 | 7G5 | 0.9002 |
9 | 1DZ | 0.8996 |
10 | YJW | 0.8992 |
11 | GG5 | 0.8965 |
12 | 6DL | 0.8961 |
13 | 29B | 0.8910 |
14 | EHU | 0.8904 |
15 | 6G7 | 0.8904 |
16 | 4BC | 0.8799 |
17 | EHR | 0.8773 |
18 | BAW | 0.8761 |
19 | M2N | 0.8752 |
20 | YGL | 0.8722 |
21 | 6NM | 0.8716 |
22 | IQ1 | 0.8709 |
23 | 5O4 | 0.8698 |
24 | P4A | 0.8695 |
25 | YI0 | 0.8680 |
26 | BSM | 0.8634 |
27 | LZL | 0.8630 |
28 | 7EG | 0.8627 |
29 | 2E1 | 0.8624 |
30 | QC2 | 0.8613 |
31 | GOH | 0.8610 |
32 | EH6 | 0.8606 |
33 | 9GZ | 0.8589 |
34 | S0K | 0.8549 |
35 | 6O3 | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 5olz.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |