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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 | 3WD4 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
2 | 6JKF | Kd = 0.19 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
3 | 1UR9 | Ki = 1.7 uM | GDL PHJ NAG | n/a | n/a |
4 | 1W1Y | ic50 = 2.4 mM | TYP | C14 H16 N2 O3 | c1cc(ccc1C.... |
5 | 6JK9 | Ki = 0.41 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
6 | 1H0G | - | 0AR DPR HSE HIS UN1 | n/a | n/a |
7 | 1E6N | - | NAG NAG NAG NAG NAG | n/a | n/a |
8 | 4Z2H | ic50 = 8.3 uM | M6A | C33 H57 N5 O10 | [H]/N=C(NC.... |
9 | 4Z2K | - | M6E | C38 H67 N5 O10 | [H]/N=C(/N.... |
10 | 3WD2 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
11 | 1E6Z | - | NAG NAG | n/a | n/a |
12 | 7C34 | Ki = 11.79 uM | BER | C20 H18 N O4 | COc1ccc2cc.... |
13 | 1W1V | ic50 = 6.3 mM | ALJ | C11 H19 N5 O2 | C1C[C@H]2C.... |
14 | 3WD1 | ic50 = 0.022 uM | ST7 | C37 H41 N11 O4 | [H]/N=C(/N.... |
15 | 3WD3 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
16 | 1H0I | - | VR0 MEA IAS IAS DAL | n/a | n/a |
17 | 1E6R | - | NAA AMI NAA | n/a | n/a |
18 | 4Z2I | ic50 = 0.036 uM | M6B | C34 H59 N5 O10 | [H]/N=C(NC.... |
19 | 1O6I | Ki = 0.65 mM | 0HZ | C11 H20 N5 O2 | NULL |
20 | 1W1P | ic50 = 5 mM | GIO | C7 H10 N2 O2 | C1C[C@H]2C.... |
21 | 1W1T | ic50 = 1.1 mM | CHQ | C11 H14 N4 O2 | c1c([nH]cn.... |
22 | 1UR8 | Ki = 45 uM | GDL NAG | n/a | n/a |
23 | 4Z2L | - | M6F | C31 H55 N5 O10 | [H]/N=C(NC.... |
24 | 1OGG | Ki = 6.4 uM | NAA AMI NAA | 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 | 3WD4 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
2 | 6JKF | Kd = 0.19 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
3 | 1UR9 | Ki = 1.7 uM | GDL PHJ NAG | n/a | n/a |
4 | 1W1Y | ic50 = 2.4 mM | TYP | C14 H16 N2 O3 | c1cc(ccc1C.... |
5 | 6JK9 | Ki = 0.41 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
6 | 1H0G | - | 0AR DPR HSE HIS UN1 | n/a | n/a |
7 | 1E6N | - | NAG NAG NAG NAG NAG | n/a | n/a |
8 | 4Z2H | ic50 = 8.3 uM | M6A | C33 H57 N5 O10 | [H]/N=C(NC.... |
9 | 4Z2K | - | M6E | C38 H67 N5 O10 | [H]/N=C(/N.... |
10 | 3WD2 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
11 | 1E6Z | - | NAG NAG | n/a | n/a |
12 | 7C34 | Ki = 11.79 uM | BER | C20 H18 N O4 | COc1ccc2cc.... |
13 | 1W1V | ic50 = 6.3 mM | ALJ | C11 H19 N5 O2 | C1C[C@H]2C.... |
14 | 3WD1 | ic50 = 0.022 uM | ST7 | C37 H41 N11 O4 | [H]/N=C(/N.... |
15 | 3WD3 | ic50 = 0.58 uM | A1L | C24 H31 N9 O3 | [H]/N=C(NC.... |
16 | 1H0I | - | VR0 MEA IAS IAS DAL | n/a | n/a |
17 | 1E6R | - | NAA AMI NAA | n/a | n/a |
18 | 4Z2I | ic50 = 0.036 uM | M6B | C34 H59 N5 O10 | [H]/N=C(NC.... |
19 | 1O6I | Ki = 0.65 mM | 0HZ | C11 H20 N5 O2 | NULL |
20 | 1W1P | ic50 = 5 mM | GIO | C7 H10 N2 O2 | C1C[C@H]2C.... |
21 | 1W1T | ic50 = 1.1 mM | CHQ | C11 H14 N4 O2 | c1c([nH]cn.... |
22 | 1UR8 | Ki = 45 uM | GDL NAG | n/a | n/a |
23 | 4Z2L | - | M6F | C31 H55 N5 O10 | [H]/N=C(NC.... |
24 | 1OGG | Ki = 6.4 uM | NAA AMI NAA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0HZ | 1.0000 |
2 | JCL | 0.8961 |
3 | 4K2 | 0.8886 |
4 | ALJ | 0.8821 |
5 | 8UY | 0.8781 |
6 | KWK | 0.8778 |
7 | YX0 | 0.8745 |
8 | J5B | 0.8741 |
9 | 9PP | 0.8736 |
10 | A8S | 0.8729 |
11 | 5M2 | 0.8728 |
12 | 3WJ | 0.8709 |
13 | SNP | 0.8706 |
14 | CMG | 0.8701 |
15 | 5HG | 0.8688 |
16 | FHI | 0.8683 |
17 | QRP | 0.8677 |
18 | FSU | 0.8665 |
19 | RKY | 0.8664 |
20 | G50 | 0.8657 |
21 | H5E | 0.8657 |
22 | IGP | 0.8634 |
23 | 5LI | 0.8623 |
24 | ZIP | 0.8620 |
25 | DX6 | 0.8619 |
26 | PNX | 0.8616 |
27 | FD7 | 0.8613 |
28 | IPL | 0.8611 |
29 | NAR | 0.8602 |
30 | JXB | 0.8599 |
31 | JFS | 0.8595 |
32 | TYP | 0.8583 |
33 | CHQ | 0.8576 |
34 | UN9 | 0.8570 |
35 | AGI | 0.8560 |
36 | 57D | 0.8554 |
37 | WA2 | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 3wd1.bio1) has 72 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Y2C | NAG NAG NAG NAG NAG | 39.6867 |
2 | 1NWU | NAG NAG NAG NDG | 47.7901 |
This union binding pocket(no: 2) in the query (biounit: 3wd1.bio2) has 72 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6JMN | BV0 | 32.7968 |
2 | 5Y2C | NAG NAG NAG NAG NAG | 39.6867 |
3 | 6HM1 | AO3 | 42.75 |
4 | 1NWU | NAG NAG NAG NDG | 47.7901 |
5 | 6KXL | NAG | 48.9247 |
This union binding pocket(no: 3) in the query (biounit: 3wd1.bio2) has 72 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |