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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 5 families. | |||||
1 | 5A4T | ic50 = 1.3 uM | AJG | C10 H7 N3 O S | CC(=O)N=C1.... |
2 | 5A4Q | ic50 = 2.9 uM | Y3L | C9 H7 Cl N2 O S | CC(=O)Nc1n.... |
3 | 6EIQ | Ki = 383 nM | B6Z | C22 H25 N5 O2 S | CN1CCN(CC1.... |
4 | 6EIF | Ki = 104 nM | B5T | C18 H14 N4 O2 S | c1cc(cnc1).... |
5 | 6A1F | ic50 = 0.33 uM | 9OF | C15 H17 N3 O | CC1(Cc2cc(.... |
6 | 5A3X | ic50 = 0.8 uM | QIV | C9 H8 N2 O2 S | CC(=O)Nc1n.... |
7 | 4YLK | ic50 = 0.18 uM | 4E2 | C16 H8 Cl I N2 O2 | c1cc2c3c(c.... |
8 | 6A1G | ic50 = 0.054 uM | 9OL | C21 H26 N4 | CC1(Cc2cc(.... |
9 | 6EIL | - | B6B | C17 H15 N5 O2 | COc1ccc(cc.... |
10 | 6EIS | Ki = 252 nM | B6N | C22 H12 F4 N4 O | c1cc2c(cc1.... |
11 | 4MQ1 | - | 2C3 | C25 H22 Cl2 N6 O4 | COc1ncc2c(.... |
12 | 6EIJ | Ki = 1680 nM | B5Z | C23 H26 N6 O3 S | c1cc(cc(c1.... |
13 | 4YLL | ic50 = 0.12 uM | 4E3 | C16 H8 Br I N2 O2 | c1cc2c3c(c.... |
14 | 6EIR | Ki = 575 nM | B6H | C25 H30 N6 O3 S | CCC(=O)Nc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5A4T | ic50 = 1.3 uM | AJG | C10 H7 N3 O S | CC(=O)N=C1.... |
2 | 5A4Q | ic50 = 2.9 uM | Y3L | C9 H7 Cl N2 O S | CC(=O)Nc1n.... |
3 | 6EIQ | Ki = 383 nM | B6Z | C22 H25 N5 O2 S | CN1CCN(CC1.... |
4 | 6EIF | Ki = 104 nM | B5T | C18 H14 N4 O2 S | c1cc(cnc1).... |
5 | 6A1F | ic50 = 0.33 uM | 9OF | C15 H17 N3 O | CC1(Cc2cc(.... |
6 | 5A3X | ic50 = 0.8 uM | QIV | C9 H8 N2 O2 S | CC(=O)Nc1n.... |
7 | 4YLK | ic50 = 0.18 uM | 4E2 | C16 H8 Cl I N2 O2 | c1cc2c3c(c.... |
8 | 6A1G | ic50 = 0.054 uM | 9OL | C21 H26 N4 | CC1(Cc2cc(.... |
9 | 6EIL | - | B6B | C17 H15 N5 O2 | COc1ccc(cc.... |
10 | 6EIS | Ki = 252 nM | B6N | C22 H12 F4 N4 O | c1cc2c(cc1.... |
11 | 4MQ1 | - | 2C3 | C25 H22 Cl2 N6 O4 | COc1ncc2c(.... |
12 | 6EIJ | Ki = 1680 nM | B5Z | C23 H26 N6 O3 S | c1cc(cc(c1.... |
13 | 4YLL | ic50 = 0.12 uM | 4E3 | C16 H8 Br I N2 O2 | c1cc2c3c(c.... |
14 | 6EIR | Ki = 575 nM | B6H | C25 H30 N6 O3 S | CCC(=O)Nc1.... |
15 | 5LXC | ic50 = 10.8 nM | 7AA | C17 H11 Cl2 N5 O S | COC(=N)c1n.... |
16 | 2WU7 | ic50 = 530 nM | V25 | C15 H13 Cl2 N3 O2 | CCOC(=O)c1.... |
17 | 2WU6 | ic50 = 29.2 nM | DKI | C15 H13 F2 N7 O2 S2 | c1cc(c(c(c.... |
18 | 6FYR | - | EAQ | C20 H21 N6 O | CC(C)(C)c1.... |
19 | 6FT7 | - | E6Q | C16 H10 N2 O | c1ccc(cc1).... |
20 | 6FYP | ic50 = 143 nM | 3NG | C19 H12 Cl N3 O2 | c1cc(cc(c1.... |
21 | 6FYV | ic50 = 11 nM | 3NG | C19 H12 Cl N3 O2 | c1cc(cc(c1.... |
22 | 6I5H | - | H3N | C23 H17 N3 O2 | Cn1cc(cn1).... |
23 | 5X8I | ic50 = 2 nM | SQZ | C24 H16 F N5 O | C[C@@H](c1.... |
24 | 6FT9 | - | E6W | C16 H9 Br N2 O | c1ccc(cc1).... |
25 | 1Z57 | - | DBQ | C11 H11 N5 O2 | c1c[nH]c2c.... |
26 | 6FYO | - | EAQ | C20 H21 N6 O | CC(C)(C)c1.... |
27 | 6FT8 | - | E6T | C16 H10 N2 O2 | c1cc(cc(c1.... |
28 | 6Q8K | ic50 = 290 nM | FG9 | C18 H22 N6 O | c1cncc2c1c.... |
29 | 5J1W | ic50 = 0.19 uM | 6FB | C11 H8 N4 | c1cncc2c1c.... |
30 | 6I5K | - | H3H | C20 H19 N3 O2 | CC(C)Oc1cc.... |
31 | 6FYL | ic50 = 7 nM | 3NG | C19 H12 Cl N3 O2 | c1cc(cc(c1.... |
32 | 4IFC | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
33 | 4IIR | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
34 | 4IJP | ic50 = 0.016 uM | 1EH | C20 H14 Cl N3 O2 S2 | c1cc(c2cc(.... |
35 | 6K0J | ic50 = 13 nM | CQO | C18 H20 N2 O2 S | COc1ccc2c(.... |
This union binding pocket(no: 2) in the query (biounit: 6a1g.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6AC9 | ANP | 4.44444 |
2 | 6AC9 | ANP | 4.44444 |
3 | 6JKM | ADP | 25.5132 |
4 | 5LPZ | ADP | 26.8072 |
5 | 4XH0 | ADP | 26.9444 |
6 | 2CSN | CKI | 27.9461 |
7 | 3V8S | 0HD | 29.4444 |
8 | 3V8S | 0HD | 29.4444 |
9 | 3V8S | 0HD | 29.4444 |
10 | 3V8S | 0HD | 29.4444 |
11 | 2YAB | AMP | 29.4444 |
12 | 2F2U | M77 | 29.7222 |
13 | 2F2U | M77 | 29.7222 |
14 | 3C0G | 3AM | 29.9145 |
15 | 5LPB | ADP | 30.0676 |
16 | 4N70 | 2HX | 30.1829 |
17 | 4OTH | DRN | 30.2053 |
18 | 2VN9 | GVD | 30.5648 |
19 | 2VN9 | GVD | 30.5648 |
20 | 3BU5 | ATP | 30.719 |
21 | 6GZD | LCI | 30.8333 |
22 | 3KN5 | ANP | 31.3846 |
23 | 3KN5 | ANP | 31.3846 |
24 | 5DBX | ANP | 31.7073 |
25 | 3TXO | 07U | 31.728 |
26 | 3TXO | 07U | 31.728 |
27 | 5HVJ | ANP | 31.746 |
28 | 6QF4 | ADP | 31.8043 |
29 | 6F3G | CJN | 32.5424 |
30 | 3M2W | L8I | 33.7793 |
31 | 2ZV2 | 609 | 33.8926 |
32 | 3SRV | S19 | 36.1011 |
33 | 1OUK | 084 | 36.1111 |
34 | 1PHK | ATP | 36.2416 |
35 | 2YAK | OSV | 36.4912 |
36 | 5A6N | U7E | 36.7491 |
37 | 4NST | AF3 | 36.7521 |
38 | 3DAK | ANP | 36.8966 |
39 | 3DAK | ANP | 36.8966 |
40 | 5EFQ | ADP | 37.1758 |
41 | 4YZN | 4K5 | 37.2822 |
42 | 3RWP | ABQ | 37.9421 |
43 | 5LVP | ATP | 37.9421 |
44 | 2A19 | ANP | 38.3803 |
45 | 4WNP | 3RJ | 39.3728 |
46 | 1Q8Y | ADE | 39.4444 |
47 | 4H3P | ANP | 43.0556 |
48 | 4H3P | ANP | 43.0556 |
49 | 4UX9 | ANP | 43.3333 |
50 | 4NM5 | ADP | 45 |
51 | 3ZRM | ZRM | 45.2778 |
52 | 3ZRM | ZRM | 45.2778 |
53 | 1O9U | ADZ | 47.1429 |
54 | 4CFU | 2WC | 49.835 |