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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 27 families. | |||||
1 | 3JZK | ic50 = 1.23 uM | YIN | C24 H16 Br2 N4 O | c1ccc2c(c1.... |
2 | 4JV7 | ic50 = 1 uM | 1MN | C24 H21 Br2 N O2 | CN1[C@@H](.... |
3 | 4JVR | ic50 = 9.4 nM | 1MT | C25 H29 Cl2 F N4 O2 | CC(C)(C)C[.... |
4 | 5LN2 | ic50 = 0.13 nM | 6ZT | C32 H34 Cl2 N4 O3 | Cc1cc(ccc1.... |
5 | 4ZFI | Kd = 0.5 uM | 4NJ | C27 H21 Cl3 N2 O2 | CN1C(=O)C(.... |
6 | 4ZYF | Kd = 2.3 nM | 4T4 | C38 H47 Cl N4 O4 | CC(C)Oc1cc.... |
7 | 4DIJ | ic50 = 0.03 uM | BLF | C31 H29 Cl2 N5 O2 | c1ccc(cc1).... |
8 | 4ZYI | ic50 = 0.008 uM | 4TH | C33 H34 Cl N3 O3 | CC[C@@H](C.... |
9 | 5HMH | ic50 = 0.007 uM | 62R | C35 H38 F6 N4 O6 S | CCC[C@@H]1.... |
10 | 6Q96 | ic50 = 0.1 nM | HRE | C27 H25 Cl N8 O3 | CC(C)c1c2c.... |
11 | 4OAS | Kd = 0.045 nM | 2SW | C28 H35 Cl2 N O5 S | CC[C@@H](C.... |
12 | 4ERF | Kd = 0.4 nM | 0R3 | C25 H29 Cl2 N O4 | CC[C@@H]([.... |
13 | 5OAI | Ki = 0.1 uM | B5K | C23 H21 Cl F3 N3 O4 | CC(C)(C)NC.... |
14 | 6Q9L | ic50 = 3.9 nM | HTZ | C36 H40 Cl2 N6 O2 | CN(C)CCCN(.... |
15 | 4ZYC | ic50 = 0.38 uM | 4SS | C28 H28 Cl N5 O4 | CCOc1cc2c(.... |
16 | 4OCC | ic50 = 2 nM | 2TZ | C26 H31 Cl2 N O6 S | CC[C@@H](C.... |
17 | 6Q9O | ic50 = 3.4 nM | HU8 | C28 H30 Cl2 F N7 O | CC(C)(C)NC.... |
18 | 3LBL | Ki = 36 nM | MI6 | C29 H35 Cl2 F N4 O3 | CC(C)(C)C[.... |
19 | 4MDN | Ki = 0.6 uM | Y30 | C30 H29 Cl2 N3 O5 | CC(C)(C)NC.... |
20 | 5OC8 | - | 9QW | C26 H24 Cl2 N6 O4 | CC(C)n1c2c.... |
21 | 6I3S | - | H28 | C23 H18 Cl2 F N3 O2 | c1cc(c(c(c.... |
22 | 5HMI | ic50 = 0.015 uM | 62T | C33 H36 F6 N4 O5 S | CCC[C@@H]1.... |
23 | 4MDQ | Ki = 1.2 uM | 28W | C24 H28 Cl N5 O5 | CC(C)C[C@@.... |
24 | 4HG7 | ic50 = 90 nM | NUT | C30 H30 Cl2 N4 O4 | CC(C)Oc1cc.... |
25 | 3W69 | ic50 = 0.058 uM | LTZ | C36 H43 Cl2 N5 O3 S | CC[C@@H]1C.... |
26 | 4OQ3 | ic50 = 0.008 uM | 2V8 | C24 H18 Cl2 N2 O2 | Cc1cccc(c1.... |
27 | 4JV9 | ic50 = 1.8 uM | 1MO | C24 H21 Cl2 N O2 | CN1[C@@H](.... |
28 | 4QOC | ic50 = 0.12 nM | 35T | C29 H34 Cl2 N2 O5 S | C[C@@]1(C[.... |
29 | 4OGV | ic50 = 9 nM | 2U7 | C26 H31 Cl2 N O6 S | CC[C@@H](C.... |
30 | 4ZGK | Kd = 3.1 uM | 4NX | C26 H18 Cl3 N O3 | c1cc(ccc1C.... |
31 | 4OBA | ic50 = 0.4 nM | 2TW | C27 H31 Cl2 N O6 S | CC(C)(C)S(.... |
32 | 4JVE | ic50 = 0.086 uM | 1MQ | C28 H24 Cl2 F N O4 | C/C=C/[C@H.... |
33 | 4JWR | ic50 = 0.61 uM | 1MY | C22 H23 Cl2 N O5 | CC[C@@H](C.... |
34 | 6GGN | ic50 = 0.08 nM | EYH | C28 H27 Cl2 N5 O3 | Cc1ccc(cc1.... |
35 | 4ERE | ic50 = 4.2 nM | 0R2 | C27 H31 Cl2 N O5 | CC[C@@H](C.... |
36 | 4QO4 | ic50 = 0.005 uM | 35S | C31 H32 Cl2 N2 O3 | CC[C@@H](c.... |
37 | 6Q9H | ic50 = 7.8 nM | HRH | C21 H18 Cl2 F N3 O | Cc1cc(ccc1.... |
38 | 4LWU | ic50 = 0.005 uM | 20U | C30 H29 Cl2 F N4 O3 | CC(C)(C)C[.... |
39 | 4LWV | ic50 = 7 nM | 20W | C29 H29 Cl2 F N4 O4 S | CC(C)(C)C[.... |
40 | 4J74 | Kd = 26 uM | I18 | C16 H14 Cl2 N2 | CC1=N[C@H].... |
41 | 4IPF | ic50 = 18 nM | 1F0 | C38 H48 Cl2 N4 O4 S | CCOc1cc(cc.... |
42 | 4J7D | Kd = 20 uM | I31 | C29 H32 Cl2 N2 O | CCOc1cc(cc.... |
43 | 4J3E | ic50 = 0.088 uM | NUT | C30 H30 Cl2 N4 O4 | CC(C)Oc1cc.... |
44 | 4JSC | ic50 = 74 nM | 1OY | C27 H31 Cl2 F2 N3 O3 | CC(C)(C)C[.... |
45 | 4JRG | ic50 = 196 nM | I09 | C27 H33 Cl2 N3 O3 | CC(C)(C)C[.... |
46 | 4J7E | Kd = 14 uM | I29 | C27 H34 Cl2 N4 O3 S | CC1=N[C@@].... |
47 | 4LWT | ic50 = 3.9 uM | 20Q | C22 H22 Cl2 N2 O2 | CC(=O)N1CC.... |
48 | 5J7F | - | 6GG | C35 H33 Cl2 F N4 O5 | c1cc(ccc1C.... |
49 | 4HBM | Kd = 12 nM | 0Y7 | C23 H25 Cl2 N O4 | CC[C@@H](C.... |
50 | 3TU1 | Ki = 0.25 uM | 07G | C23 H21 Cl F2 N3 O4 | CC(C)(C)NC.... |
51 | 2AXI | ic50 = 140 nM | PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR | n/a | n/a |
52 | 5J7G | - | 6GG | C35 H33 Cl2 F N4 O5 | c1cc(ccc1C.... |
53 | 1T4F | - | ARG PHE MET ASP TYR TRP GLU GLY LEU | n/a | n/a |
54 | 2GV2 | ic50 = 5 nM | ACE PHE MET AIB PM3 6CW GLU 1AC LEU | n/a | n/a |
55 | 5HMK | ic50 = 0.04 uM | 62Q | C35 H38 F6 N4 O5 | CCC[C@@H]1.... |
56 | 5TRF | Ki = 0.88 nM | 7HC | C29 H34 Cl2 F N3 O3 | CC(C)(C)C[.... |
57 | 4WT2 | Kd = 38 pM | 3UD | C37 H41 Cl2 F N2 O7 S | C[C@@]1(C[.... |
58 | 4OGT | ic50 = 0.1 nM | 2U6 | C33 H36 Cl2 N2 O6 S | C[C@]1(C(=.... |
59 | 1RV1 | ic50 = 0.14 uM | IMZ | C31 H34 Br2 N4 O4 | CCOc1cc(cc.... |
60 | 4ODF | ic50 = 0.1 nM | 2U1 | C33 H36 Cl2 N2 O6 S | C[C@@]1(C(.... |
61 | 4ODE | ic50 = 0.1 nM | 2U0 | C33 H37 Cl2 F N2 O5 S2 | C[C@@]1(C[.... |
62 | 4OGN | ic50 = 0.1 nM | 2U5 | C34 H38 Cl2 N2 O5 S | C[C@@]1(C[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6Q9S | ic50 = 17 nM | HRN | C42 H37 Cl3 N6 O5 | C[C@@H](c1.... |
2 | 3U15 | Kd = 0.078 uM | 03M | C20 H14 Cl F2 N3 O2 | Cc1c(ccc2c.... |
3 | 6Q9Q | ic50 = 145 nM | HUE | C38 H42 Cl2 N6 O | C[C@@H](c1.... |
4 | 3FE7 | Kd = 75 nM | ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 | n/a | n/a |
5 | 3FEA | Kd = 36 nM | ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 | n/a | n/a |
6 | 6Q9Y | ic50 = 3700 nM | HRQ | C21 H23 N3 O2 | Cc1ccc(cc1.... |
7 | 6Q9W | ic50 = 580 nM | HRT | C28 H27 Cl2 N5 O3 | C[C@@H](c1.... |
8 | 6Q9U | ic50 = 1300 nM | HRE | C27 H25 Cl N8 O3 | CC(C)c1c2c.... |
9 | 3JZK | ic50 = 1.23 uM | YIN | C24 H16 Br2 N4 O | c1ccc2c(c1.... |
10 | 4JV7 | ic50 = 1 uM | 1MN | C24 H21 Br2 N O2 | CN1[C@@H](.... |
11 | 4JVR | ic50 = 9.4 nM | 1MT | C25 H29 Cl2 F N4 O2 | CC(C)(C)C[.... |
12 | 5LN2 | ic50 = 0.13 nM | 6ZT | C32 H34 Cl2 N4 O3 | Cc1cc(ccc1.... |
13 | 4ZFI | Kd = 0.5 uM | 4NJ | C27 H21 Cl3 N2 O2 | CN1C(=O)C(.... |
14 | 4ZYF | Kd = 2.3 nM | 4T4 | C38 H47 Cl N4 O4 | CC(C)Oc1cc.... |
15 | 4DIJ | ic50 = 0.03 uM | BLF | C31 H29 Cl2 N5 O2 | c1ccc(cc1).... |
16 | 4ZYI | ic50 = 0.008 uM | 4TH | C33 H34 Cl N3 O3 | CC[C@@H](C.... |
17 | 5HMH | ic50 = 0.007 uM | 62R | C35 H38 F6 N4 O6 S | CCC[C@@H]1.... |
18 | 6Q96 | ic50 = 0.1 nM | HRE | C27 H25 Cl N8 O3 | CC(C)c1c2c.... |
19 | 4OAS | Kd = 0.045 nM | 2SW | C28 H35 Cl2 N O5 S | CC[C@@H](C.... |
20 | 4ERF | Kd = 0.4 nM | 0R3 | C25 H29 Cl2 N O4 | CC[C@@H]([.... |
21 | 5OAI | Ki = 0.1 uM | B5K | C23 H21 Cl F3 N3 O4 | CC(C)(C)NC.... |
22 | 6Q9L | ic50 = 3.9 nM | HTZ | C36 H40 Cl2 N6 O2 | CN(C)CCCN(.... |
23 | 4ZYC | ic50 = 0.38 uM | 4SS | C28 H28 Cl N5 O4 | CCOc1cc2c(.... |
24 | 4OCC | ic50 = 2 nM | 2TZ | C26 H31 Cl2 N O6 S | CC[C@@H](C.... |
25 | 6Q9O | ic50 = 3.4 nM | HU8 | C28 H30 Cl2 F N7 O | CC(C)(C)NC.... |
26 | 3LBL | Ki = 36 nM | MI6 | C29 H35 Cl2 F N4 O3 | CC(C)(C)C[.... |
27 | 4MDN | Ki = 0.6 uM | Y30 | C30 H29 Cl2 N3 O5 | CC(C)(C)NC.... |
28 | 5OC8 | - | 9QW | C26 H24 Cl2 N6 O4 | CC(C)n1c2c.... |
29 | 6I3S | - | H28 | C23 H18 Cl2 F N3 O2 | c1cc(c(c(c.... |
30 | 5HMI | ic50 = 0.015 uM | 62T | C33 H36 F6 N4 O5 S | CCC[C@@H]1.... |
31 | 4MDQ | Ki = 1.2 uM | 28W | C24 H28 Cl N5 O5 | CC(C)C[C@@.... |
32 | 4HG7 | ic50 = 90 nM | NUT | C30 H30 Cl2 N4 O4 | CC(C)Oc1cc.... |
33 | 3W69 | ic50 = 0.058 uM | LTZ | C36 H43 Cl2 N5 O3 S | CC[C@@H]1C.... |
34 | 4OQ3 | ic50 = 0.008 uM | 2V8 | C24 H18 Cl2 N2 O2 | Cc1cccc(c1.... |
35 | 4JV9 | ic50 = 1.8 uM | 1MO | C24 H21 Cl2 N O2 | CN1[C@@H](.... |
36 | 4QOC | ic50 = 0.12 nM | 35T | C29 H34 Cl2 N2 O5 S | C[C@@]1(C[.... |
37 | 4OGV | ic50 = 9 nM | 2U7 | C26 H31 Cl2 N O6 S | CC[C@@H](C.... |
38 | 4ZGK | Kd = 3.1 uM | 4NX | C26 H18 Cl3 N O3 | c1cc(ccc1C.... |
39 | 4OBA | ic50 = 0.4 nM | 2TW | C27 H31 Cl2 N O6 S | CC(C)(C)S(.... |
40 | 4JVE | ic50 = 0.086 uM | 1MQ | C28 H24 Cl2 F N O4 | C/C=C/[C@H.... |
41 | 4JWR | ic50 = 0.61 uM | 1MY | C22 H23 Cl2 N O5 | CC[C@@H](C.... |
42 | 6GGN | ic50 = 0.08 nM | EYH | C28 H27 Cl2 N5 O3 | Cc1ccc(cc1.... |
43 | 4ERE | ic50 = 4.2 nM | 0R2 | C27 H31 Cl2 N O5 | CC[C@@H](C.... |
44 | 4QO4 | ic50 = 0.005 uM | 35S | C31 H32 Cl2 N2 O3 | CC[C@@H](c.... |
45 | 6Q9H | ic50 = 7.8 nM | HRH | C21 H18 Cl2 F N3 O | Cc1cc(ccc1.... |
46 | 4LWU | ic50 = 0.005 uM | 20U | C30 H29 Cl2 F N4 O3 | CC(C)(C)C[.... |
47 | 4LWV | ic50 = 7 nM | 20W | C29 H29 Cl2 F N4 O4 S | CC(C)(C)C[.... |
48 | 4J74 | Kd = 26 uM | I18 | C16 H14 Cl2 N2 | CC1=N[C@H].... |
49 | 4IPF | ic50 = 18 nM | 1F0 | C38 H48 Cl2 N4 O4 S | CCOc1cc(cc.... |
50 | 4J7D | Kd = 20 uM | I31 | C29 H32 Cl2 N2 O | CCOc1cc(cc.... |
51 | 4J3E | ic50 = 0.088 uM | NUT | C30 H30 Cl2 N4 O4 | CC(C)Oc1cc.... |
52 | 4JSC | ic50 = 74 nM | 1OY | C27 H31 Cl2 F2 N3 O3 | CC(C)(C)C[.... |
53 | 4JRG | ic50 = 196 nM | I09 | C27 H33 Cl2 N3 O3 | CC(C)(C)C[.... |
54 | 4J7E | Kd = 14 uM | I29 | C27 H34 Cl2 N4 O3 S | CC1=N[C@@].... |
55 | 4LWT | ic50 = 3.9 uM | 20Q | C22 H22 Cl2 N2 O2 | CC(=O)N1CC.... |
56 | 5J7F | - | 6GG | C35 H33 Cl2 F N4 O5 | c1cc(ccc1C.... |
57 | 4HBM | Kd = 12 nM | 0Y7 | C23 H25 Cl2 N O4 | CC[C@@H](C.... |
58 | 3TU1 | Ki = 0.25 uM | 07G | C23 H21 Cl F2 N3 O4 | CC(C)(C)NC.... |
59 | 2AXI | ic50 = 140 nM | PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR | n/a | n/a |
60 | 5J7G | - | 6GG | C35 H33 Cl2 F N4 O5 | c1cc(ccc1C.... |
61 | 1T4F | - | ARG PHE MET ASP TYR TRP GLU GLY LEU | n/a | n/a |
62 | 2GV2 | ic50 = 5 nM | ACE PHE MET AIB PM3 6CW GLU 1AC LEU | n/a | n/a |
63 | 5HMK | ic50 = 0.04 uM | 62Q | C35 H38 F6 N4 O5 | CCC[C@@H]1.... |
64 | 5TRF | Ki = 0.88 nM | 7HC | C29 H34 Cl2 F N3 O3 | CC(C)(C)C[.... |
65 | 4WT2 | Kd = 38 pM | 3UD | C37 H41 Cl2 F N2 O7 S | C[C@@]1(C[.... |
66 | 4OGT | ic50 = 0.1 nM | 2U6 | C33 H36 Cl2 N2 O6 S | C[C@]1(C(=.... |
67 | 1RV1 | ic50 = 0.14 uM | IMZ | C31 H34 Br2 N4 O4 | CCOc1cc(cc.... |
68 | 4ODF | ic50 = 0.1 nM | 2U1 | C33 H36 Cl2 N2 O6 S | C[C@@]1(C(.... |
69 | 4ODE | ic50 = 0.1 nM | 2U0 | C33 H37 Cl2 F N2 O5 S2 | C[C@@]1(C[.... |
70 | 4OGN | ic50 = 0.1 nM | 2U5 | C34 H38 Cl2 N2 O5 S | C[C@@]1(C[.... |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 4lwu.bio1) has 18 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |