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- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 271 families. | |||||
1 | 4GZP | Ki = 14.3 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
2 | 4GZT | Ki = 17 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
3 | 4GZX | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
4 | 4GZW | Kd = 30 uM | NAG GAL SIA | n/a | n/a |
5 | 4GZQ | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
6 | 6BR6 | Kd = 3245 nM | E3M | C10 H20 N2 O8 S | CC(=O)N[C@.... |
7 | 6BR5 | ic50 = 19.9 nM | GYG | C11 H22 N4 O8 S | [H]/N=C(/N.... |
8 | 4H53 | - | SLB | C11 H19 N O9 | CC(=O)N[C@.... |
9 | 4K1I | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
10 | 4K1J | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
11 | 4K1K | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
12 | 1ING | - | ST5 | C11 H12 N2 O5 | CC(=O)Nc1c.... |
13 | 1INH | - | ST6 | C11 H14 N3 O4 | CC(=O)Nc1c.... |
14 | 1IVF | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
15 | 1IVE | - | ST3 | C9 H10 N2 O3 | CC(=O)Nc1c.... |
16 | 1INX | - | EQP | C10 H20 N O9 P | CC(=O)N[C@.... |
17 | 1INW | - | AXP | C10 H20 N O9 P | CC(=O)N[C@.... |
18 | 2BAT | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
19 | 1IVC | - | ST2 | C9 H10 N2 O4 | CC(=O)Nc1c.... |
20 | 1IVD | - | ST1 | C9 H8 N2 O6 | CC(=O)Nc1c.... |
21 | 3TIC | ic50 = 1.36 nM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
22 | 3TIA | ic50 = 3.12 nM | LNV | C13 H22 N4 O7 | [H]/N=C(N).... |
23 | 3TIB | ic50 = 129 nM | LVO | C21 H36 N4 O8 | [H]/N=C(N).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 2HTQ | - | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
2 | 2HT5 | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
3 | 3O9J | - | RP6 | C14 H21 N O8 | CC(=O)N[C@.... |
4 | 2HTU | - | BCZ | C15 H28 N4 O4 | CCC(CC)[C@.... |
5 | 4D8S | ic50 = 0.32 uM | 0HX | C13 H21 N O6 | CCC(CC)O[C.... |
6 | 2HTR | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
7 | 3O9K | - | ETT | C21 H27 N O8 | Cc1ccc(cc1.... |
8 | 4M3M | - | 22N | C14 H24 N2 O4 | CCC(CC)O[C.... |
9 | 4KS4 | Ki = 72 nM | 1SN | C19 H30 N4 O5 | CC[C@H](c1.... |
10 | 4KS1 | Ki = 1.5 nM | 2H8 | C14 H24 N2 O4 | CCC(CC)O[C.... |
11 | 4MJU | - | 27S | C16 H23 N3 O5 S | CCC(CC)O[C.... |
12 | 2HT8 | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
13 | 1F8E | Ki = 15 uM | 49A | C11 H19 N3 O6 | CC(=O)N[C@.... |
14 | 4MWW | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
15 | 2QWG | ic50 = 230 uM | G28 | C13 H21 N3 O5 | CCN(CC)C(=.... |
16 | 1INY | - | EQP | C10 H20 N O9 P | CC(=O)N[C@.... |
17 | 1F8B | Ki = 4 uM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
18 | 1XOE | ic50 = 41 nM | ABX | C14 H24 N2 O5 | CC(C)C[C@@.... |
19 | 4MWX | ic50 = 75.7 nM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
20 | 2QWC | Ki = 280 uM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
21 | 2QWJ | ic50 = 0.23 uM | G28 | C13 H21 N3 O5 | CCN(CC)C(=.... |
22 | 2QWI | Ki = 2.16 uM | G20 | C14 H23 N5 O5 | [H]/N=C(/N.... |
23 | 4MWY | ic50 = 89.6 nM | LNV | C13 H22 N4 O7 | [H]/N=C(N).... |
24 | 1L7G | - | BCZ | C15 H28 N4 O4 | CCC(CC)[C@.... |
25 | 1BJI | ic50 = 0.002 uM | DPC | C20 H27 N3 O5 | CCCN(CCc1c.... |
26 | 1F8D | Ki = 400 uM | 9AM | C11 H18 N2 O7 | CC(=O)N[C@.... |
27 | 2QWE | Ki = 0.033 uM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
28 | 4MWQ | ic50 = 0.79 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
29 | 1NNC | - | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
30 | 4MX0 | ic50 = 184.7 nM | BCZ | C15 H28 N4 O4 | CCC(CC)[C@.... |
31 | 2QWB | Ki = 1820 uM | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
32 | 2QWK | ic50 = 0.002 uM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
33 | 2QWF | Ki = 2.16 uM | G20 | C14 H23 N5 O5 | [H]/N=C(/N.... |
34 | 1MWE | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
35 | 4MWR | ic50 = 0.41 nM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
36 | 1L7F | - | BCZ | C15 H28 N4 O4 | CCC(CC)[C@.... |
37 | 1F8C | Ki = 0.04 uM | 4AM | C11 H18 N2 O7 | CC(=O)N[C@.... |
38 | 4MWU | ic50 = 3.24 nM | LNV | C13 H22 N4 O7 | [H]/N=C(N).... |
39 | 5JYY | - | 6PY | C16 H27 N5 O9 | [H]/N=C(N).... |
40 | 2QWD | Ki = 14 uM | 4AM | C11 H18 N2 O7 | CC(=O)N[C@.... |
41 | 2QWH | ic50 = 13 uM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
42 | 4WEG | - | DF4 | C11 H16 F N O8 | CC(=O)N[C@.... |
43 | 4MWV | ic50 = 0.4 nM | BCZ | C15 H28 N4 O4 | CCC(CC)[C@.... |
44 | 4DGR | ic50 = 9.1 uM | 3LV | C20 H30 N2 O5 | CCCN(CCC)C.... |
45 | 1L7H | - | BCZ | C15 H28 N4 O4 | CCC(CC)[C@.... |
46 | 4GZP | Ki = 14.3 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
47 | 4GZT | Ki = 17 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
48 | 4GZX | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
49 | 4GZW | Kd = 30 uM | NAG GAL SIA | n/a | n/a |
50 | 4GZQ | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
51 | 6BR6 | Kd = 3245 nM | E3M | C10 H20 N2 O8 S | CC(=O)N[C@.... |
52 | 6BR5 | ic50 = 19.9 nM | GYG | C11 H22 N4 O8 S | [H]/N=C(/N.... |
53 | 1B9T | ic50 = 8 uM | RAI | C14 H18 N4 O5 | c1cc(c(cc1.... |
54 | 1IVB | - | ST1 | C9 H8 N2 O6 | CC(=O)Nc1c.... |
55 | 1A4Q | ic50 = 3.6 uM | DPC | C20 H27 N3 O5 | CCCN(CCc1c.... |
56 | 1NSC | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
57 | 1A4G | ic50 = 0.004 uM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
58 | 1INV | - | EQP | C10 H20 N O9 P | CC(=O)N[C@.... |
59 | 1B9S | ic50 > 667 uM | FDI | C15 H20 N2 O4 | CCC(CC)C(=.... |
60 | 3K37 | Ki = 1.2 nM | BCZ | C15 H28 N4 O4 | CCC(CC)[C@.... |
61 | 1VCJ | ic50 = 26 uM | IBA | C18 H27 N3 O4 | CCC(CC)Nc1.... |
62 | 1B9V | ic50 = 224 uM | RA2 | C18 H26 N2 O5 | CCC(CC)Nc1.... |
63 | 1NSD | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
64 | 4H53 | - | SLB | C11 H19 N O9 | CC(=O)N[C@.... |
65 | 4K1I | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
66 | 4K1J | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
67 | 4K1K | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
68 | 1ING | - | ST5 | C11 H12 N2 O5 | CC(=O)Nc1c.... |
69 | 1INH | - | ST6 | C11 H14 N3 O4 | CC(=O)Nc1c.... |
70 | 1IVF | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
71 | 1IVE | - | ST3 | C9 H10 N2 O3 | CC(=O)Nc1c.... |
72 | 1INX | - | EQP | C10 H20 N O9 P | CC(=O)N[C@.... |
73 | 1INW | - | AXP | C10 H20 N O9 P | CC(=O)N[C@.... |
74 | 2BAT | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
75 | 1IVC | - | ST2 | C9 H10 N2 O4 | CC(=O)Nc1c.... |
76 | 1IVD | - | ST1 | C9 H8 N2 O6 | CC(=O)Nc1c.... |
77 | 4QN6 | - | LNV | C13 H22 N4 O7 | [H]/N=C(N).... |
78 | 4WA5 | ic50 = 1.29 nM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
79 | 4WA4 | ic50 = 0.66 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
80 | 4QN5 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
81 | 3SAN | - | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
82 | 3TI8 | ic50 = 0.9 nM | LNV | C13 H22 N4 O7 | [H]/N=C(N).... |
83 | 5NZF | Ki = 94000 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
84 | 5NZE | Kd = 410 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
85 | 6G02 | - | EF8 | C19 H37 N5 O5 P | CCC(CC)O[C.... |
86 | 5NZ4 | Kd = 520 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
87 | 2HU4 | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
88 | 6G01 | - | EEW | C14 H27 N2 O5 P | CCC(CC)O[C.... |
89 | 6HP0 | Ki = 470 nM | GJT | C17 H26 N4 O5 | CCC(CC)O[C.... |
90 | 3TI6 | ic50 = 0.54 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
91 | 3TI3 | ic50 = 1.83 nM | LNV | C13 H22 N4 O7 | [H]/N=C(N).... |
92 | 3TI5 | ic50 = 1.11 nM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
93 | 3CL0 | Ki = 84.8 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
94 | 4B7R | Ki = 0.23 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
95 | 3TI4 | ic50 = 947 nM | LVO | C21 H36 N4 O8 | [H]/N=C(N).... |
96 | 2HTY | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
97 | 5NWE | Kd = 13200 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
98 | 3CKZ | Ki = 0.19 nM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
99 | 5NZN | Ki = 220000 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
100 | 3B7E | - | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
101 | 4CPN | - | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
102 | 4CPY | Ki = 491.35 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
103 | 4CPZ | Ki = 20.85 nM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
104 | 4B7J | Ki = 11.1 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
105 | 4QN7 | ic50 = 0.84 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
106 | 3TIC | ic50 = 1.36 nM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
107 | 3TIA | ic50 = 3.12 nM | LNV | C13 H22 N4 O7 | [H]/N=C(N).... |
108 | 3TIB | ic50 = 129 nM | LVO | C21 H36 N4 O8 | [H]/N=C(N).... |
109 | 4HZZ | ic50 = 8.31 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
110 | 4I00 | - | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
111 | 4HZW | ic50 = 1.31 nM | LNV | C13 H22 N4 O7 | [H]/N=C(N).... |
112 | 4HZX | ic50 = 0.5 nM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DAN | 0.9765 |
2 | 49A | 0.9680 |
3 | DF4 | 0.9598 |
4 | 9AM | 0.9561 |
5 | G28 | 0.9425 |
6 | NGE | 0.9295 |
7 | 0HX | 0.9192 |
8 | G39 | 0.9185 |
9 | EEW | 0.9092 |
10 | GC9 | 0.9044 |
11 | 9GW | 0.9005 |
12 | 9GT | 0.8959 |
13 | 2H8 | 0.8940 |
14 | CNP | 0.8912 |
15 | ST5 | 0.8897 |
16 | ZMR | 0.8800 |
17 | ST4 | 0.8799 |
18 | 9GN | 0.8784 |
19 | 5M8 | 0.8767 |
20 | 9GZ | 0.8759 |
21 | MNA | 0.8696 |
22 | LNV | 0.8660 |
23 | KFN | 0.8627 |
24 | KB8 | 0.8624 |
25 | R2D | 0.8585 |
26 | ST6 | 0.8582 |
This union binding pocket(no: 1) in the query (biounit: 4gzp.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4gzp.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4gzp.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4gzp.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |