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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 20 families. | |||||
1 | 1NWT | - | NAG NAG NAG NAG NDG NAG | n/a | n/a |
2 | 1NWU | - | NAG NAG NAG NDG | n/a | n/a |
3 | 1HJW | - | NAG NAG NAG NAG NAG | n/a | n/a |
4 | 1ZBC | - | TRP PRO TRP | n/a | n/a |
5 | 2DT0 | - | NAG NAG NAG | n/a | n/a |
6 | 2DT1 | - | NAG NAG NAG NAG | n/a | n/a |
7 | 1WAW | ic50 = 0.013 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
8 | 1WB0 | ic50 = 4.5 uM | VR0 MEA IAS IAS DAL | n/a | n/a |
9 | 4WKH | - | NAG NAG | n/a | n/a |
10 | 1HKK | ic50 = 40 nM | NAA AMI NAA | n/a | n/a |
11 | 4WK9 | - | NAG NAG | n/a | n/a |
12 | 5NRF | ic50 = 163 nM | 95Q | C22 H27 Cl N6 | c1ccc(cc1).... |
13 | 4WKF | - | NAG NAG | n/a | n/a |
14 | 6JK6 | Kd = 1.12 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
15 | 6ZE8 | ic50 = 23 nM | QGB | C19 H27 Cl N6 O | C[C@H]1CN(.... |
16 | 5NR8 | ic50 = 175 nM | 95N | C16 H23 Br N6 | CN(CCc1ccc.... |
17 | 5NRA | ic50 = 123 nM | 95K | C19 H29 Br N6 | CC(C)CN(CC.... |
18 | 6JJR | Ki = 0.049 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
19 | 2YBT | ic50 = 20 uM | DW0 | C17 H20 N8 O4 | Cn1cnc2c1C.... |
20 | 3RM4 | Kd = 1.69 uM | 3RM | C14 H19 Br N6 O | c1cc(ccc1O.... |
21 | 3RM9 | Kd = 17 uM | 613 | C11 H15 Cl N4 | [H]/N=C(N).... |
22 | 2YBU | Ki = 0.42 uM | CX9 | C16 H18 N8 O4 | Cn1cnc2c1C.... |
23 | 3RME | ic50 = 22 uM | RME | C17 H22 N6 O3 | Cc1ccnc(c1.... |
24 | 3FY1 | - | NAA AMI NA1 | n/a | n/a |
25 | 4P8V | Kd = 204 uM | NAG NAG | n/a | n/a |
26 | 4AY1 | - | NAG NAG NAG NAG | n/a | n/a |
27 | 4P8X | Kd = 0.04 uM | NAG NAG NAG 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 223 families. | |||||
1 | 5Y2B | - | NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
2 | 6JAW | Ki = 2.18 uM | BBO | C19 H20 N2 O3 | c1cc2cccc3.... |
3 | 6JAX | - | GCS GCS GCS GCS GCS GCS GCS GCS | n/a | n/a |
4 | 6JAV | Ki = 1.72 uM | BC0 | C20 H19 Cl N4 S2 | CN1Cc2c(c3.... |
5 | 6JAY | Ki = 1.99 uM | JUK | C22 H22 N5 O4 | c1cc(oc1)C.... |
6 | 1NWT | - | NAG NAG NAG NAG NDG NAG | n/a | n/a |
7 | 1NWU | - | NAG NAG NAG NDG | n/a | n/a |
8 | 1HJW | - | NAG NAG NAG NAG NAG | n/a | n/a |
9 | 3WQV | Kd = 6.2 uM | GCS GCS GCS GCS GCS | n/a | n/a |
10 | 3WQW | - | GCS GCS GCS GCS GCS | n/a | n/a |
11 | 1WNO | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
12 | 2A3C | Kd = 43 uM | PNX | C13 H18 N4 O3 | CC(=O)CCCC.... |
13 | 2A3A | ic50 = 1500 uM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
14 | 1W9U | Kd = 0.81 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
15 | 6KXN | - | NAG NAG | n/a | n/a |
16 | 6KXL | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
17 | 6KXM | - | NAG NAG | n/a | n/a |
18 | 1ZB5 | - | TRP PRO TRP | n/a | n/a |
19 | 2DSU | - | NDG NAG NAG | n/a | n/a |
20 | 1ZBC | - | TRP PRO TRP | n/a | n/a |
21 | 2DT0 | - | NAG NAG NAG | n/a | n/a |
22 | 2DT1 | - | NAG NAG NAG NAG | n/a | n/a |
23 | 2DT3 | Kd = 18 uM | NAG NAG NAG NAG NAG NAG | n/a | n/a |
24 | 1WAW | ic50 = 0.013 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
25 | 1WB0 | ic50 = 4.5 uM | VR0 MEA IAS IAS DAL | n/a | n/a |
26 | 5Y2C | - | NAG NAG NAG NAG NAG | n/a | n/a |
27 | 4WKH | - | NAG NAG | n/a | n/a |
28 | 1HKK | ic50 = 40 nM | NAA AMI NAA | n/a | n/a |
29 | 4WK9 | - | NAG NAG | n/a | n/a |
30 | 5NRF | ic50 = 163 nM | 95Q | C22 H27 Cl N6 | c1ccc(cc1).... |
31 | 4WKF | - | NAG NAG | n/a | n/a |
32 | 6JK6 | Kd = 1.12 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
33 | 6ZE8 | ic50 = 23 nM | QGB | C19 H27 Cl N6 O | C[C@H]1CN(.... |
34 | 5NR8 | ic50 = 175 nM | 95N | C16 H23 Br N6 | CN(CCc1ccc.... |
35 | 5NRA | ic50 = 123 nM | 95K | C19 H29 Br N6 | CC(C)CN(CC.... |
36 | 6JJR | Ki = 0.049 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
37 | 3RM8 | ic50 = 0.7 uM | RM8 | C19 H22 N4 | Cc1c(c2ccc.... |
38 | 2YBT | ic50 = 20 uM | DW0 | C17 H20 N8 O4 | Cn1cnc2c1C.... |
39 | 3RM4 | Kd = 1.69 uM | 3RM | C14 H19 Br N6 O | c1cc(ccc1O.... |
40 | 3RM9 | Kd = 17 uM | 613 | C11 H15 Cl N4 | [H]/N=C(N).... |
41 | 2YBU | Ki = 0.42 uM | CX9 | C16 H18 N8 O4 | Cn1cnc2c1C.... |
42 | 3RME | ic50 = 22 uM | RME | C17 H22 N6 O3 | Cc1ccnc(c1.... |
43 | 3FY1 | - | NAA AMI NA1 | n/a | n/a |
44 | 4P8V | Kd = 204 uM | NAG NAG | n/a | n/a |
45 | 4AY1 | - | NAG NAG NAG NAG | n/a | n/a |
46 | 4P8X | Kd = 0.04 uM | NAG NAG NAG NAG NAG NAG | n/a | n/a |
47 | 4R5E | Kd = 0.000000064 M | AO3 | C25 H42 N4 O14 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RME | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 90J | 0.9286 |
2 | SQP | 0.9269 |
3 | 2LX | 0.9230 |
4 | EVU | 0.9214 |
5 | 1U3 | 0.9007 |
6 | XQK | 0.9000 |
7 | BPS | 0.8996 |
8 | YJW | 0.8986 |
9 | KTK | 0.8938 |
10 | 692 | 0.8934 |
11 | 49N | 0.8926 |
12 | OBP | 0.8911 |
13 | 27A | 0.8908 |
14 | I46 | 0.8861 |
15 | B2Y | 0.8847 |
16 | 29B | 0.8828 |
17 | ACE PHE | 0.8822 |
18 | 49K | 0.8821 |
19 | 7G5 | 0.8819 |
20 | 49O | 0.8785 |
21 | CP6 | 0.8779 |
22 | YJD | 0.8756 |
23 | 6G7 | 0.8755 |
24 | ZO9 | 0.8753 |
25 | 89J | 0.8741 |
26 | A7K | 0.8738 |
27 | OSB | 0.8737 |
28 | K65 | 0.8736 |
29 | BCK | 0.8729 |
30 | MOK | 0.8727 |
31 | 3JA | 0.8725 |
32 | JUO | 0.8724 |
33 | LT8 | 0.8690 |
34 | 3E2 | 0.8658 |
35 | A1Y | 0.8657 |
36 | 7NU | 0.8588 |
37 | 1QJ | 0.8586 |
38 | JSN | 0.8583 |
39 | MPK | 0.8547 |
This union binding pocket(no: 1) in the query (biounit: 3rm4.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3rm4.bio2) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6JMN | BV0 | 36.7089 |
2 | 6HM1 | AO3 | 39.4937 |