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- Structure Biounit | Ligand Information
- 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 4 families. | |||||
1 | 4OAL | - | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
2 | 5HMR | ic50 = 35 uM | FDZ | C10 H7 F3 N4 O2 S | c1cc(cc(c1.... |
3 | 6YAP | ic50 = 0.37 uM | OHZ | C16 H14 Cl F3 N2 O3 | c1ccc(c(c1.... |
4 | 5HHZ | - | ZME | C10 H9 N5 | Cc1ccn(c1).... |
5 | 5HQX | ic50 = 120 uM | EDZ | C11 H12 N4 O2 S | c1ccc(c(c1.... |
6 | 6YAO | ic50 = 1.5 uM | OJ2 | C16 H15 F3 N2 O3 | c1ccc(c(c1.... |
7 | 4O95 | - | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4OAL | - | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
2 | 5HMR | ic50 = 35 uM | FDZ | C10 H7 F3 N4 O2 S | c1cc(cc(c1.... |
3 | 6YAP | ic50 = 0.37 uM | OHZ | C16 H14 Cl F3 N2 O3 | c1ccc(c(c1.... |
4 | 5HHZ | - | ZME | C10 H9 N5 | Cc1ccn(c1).... |
5 | 5HQX | ic50 = 120 uM | EDZ | C11 H12 N4 O2 S | c1ccc(c(c1.... |
6 | 6YAO | ic50 = 1.5 uM | OJ2 | C16 H15 F3 N2 O3 | c1ccc(c(c1.... |
7 | 4O95 | - | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
8 | 2Q4W | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 1W1Q | - | ZIP | C10 H13 N5 | CC(=CCNc1c.... |
10 | 2QKN | ic50 = 18 uM | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
11 | 2QPM | ic50 = 42 uM | 246 | C13 H12 Cl N3 O | c1ccc(cc1).... |
12 | 3KJM | ic50 = 1.5 uM | 245 | C12 H10 Cl N3 O | c1ccc(cc1).... |
13 | 1W1S | - | EMU | C12 H11 N5 | c1ccc(cc1).... |
14 | 1W1R | - | ZEA | C10 H13 N5 O | C/C(=CCNc1.... |
15 | 6YAQ | ic50 = 0.059 uM | OHZ | C16 H14 Cl F3 N2 O3 | c1ccc(c(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 8M5 | 0.9251 |
2 | NU3 | 0.9246 |
3 | 245 | 0.9155 |
4 | 697 | 0.9149 |
5 | TH1 | 0.9102 |
6 | 20D | 0.9098 |
7 | DFL | 0.9078 |
8 | STL | 0.9059 |
9 | AGI | 0.9019 |
10 | 244 | 0.9016 |
11 | 1V1 | 0.9010 |
12 | UAY | 0.9006 |
13 | SZ5 | 0.9000 |
14 | 3F4 | 0.8994 |
15 | IDD | 0.8991 |
16 | NAR | 0.8981 |
17 | 6X1 | 0.8977 |
18 | 1V8 | 0.8974 |
19 | LJ2 | 0.8969 |
20 | MHB | 0.8957 |
21 | CMG | 0.8956 |
22 | 041 | 0.8945 |
23 | IMK | 0.8931 |
24 | MR5 | 0.8930 |
25 | 1UZ | 0.8924 |
26 | 27F | 0.8920 |
27 | 6TJ | 0.8918 |
28 | A73 | 0.8915 |
29 | ZRL | 0.8912 |
30 | WLH | 0.8910 |
31 | M3W | 0.8910 |
32 | 8E3 | 0.8909 |
33 | 25F | 0.8907 |
34 | 7FZ | 0.8905 |
35 | F18 | 0.8895 |
36 | MR4 | 0.8891 |
37 | LJ1 | 0.8889 |
38 | NW1 | 0.8887 |
39 | 1V0 | 0.8887 |
40 | NKI | 0.8884 |
41 | VT3 | 0.8877 |
42 | MRE | 0.8872 |
43 | AUY | 0.8846 |
44 | 1AV | 0.8841 |
45 | RGK | 0.8832 |
46 | Q5M | 0.8829 |
47 | 3RL | 0.8829 |
48 | E9L | 0.8824 |
49 | 5LP | 0.8824 |
50 | UN4 | 0.8819 |
51 | MBP | 0.8816 |
52 | 3D8 | 0.8809 |
53 | A63 | 0.8801 |
54 | U13 | 0.8801 |
55 | 47V | 0.8789 |
56 | GLC IBZ | 0.8782 |
57 | BGC IBZ | 0.8782 |
58 | 1UT | 0.8781 |
59 | EEY | 0.8778 |
60 | M08 | 0.8767 |
61 | MR6 | 0.8761 |
62 | CDJ | 0.8758 |
63 | 3Q0 | 0.8753 |
64 | WG8 | 0.8733 |
65 | 4RG | 0.8732 |
66 | LZ7 | 0.8728 |
67 | ZEA | 0.8728 |
68 | 0SY | 0.8725 |
69 | DL6 | 0.8721 |
70 | HFT | 0.8717 |
71 | 8BD | 0.8716 |
72 | 0NJ | 0.8704 |
73 | NBZ GLA | 0.8704 |
74 | 5XM | 0.8701 |
75 | 338 | 0.8697 |
76 | 553 | 0.8692 |
77 | 5E2 | 0.8691 |
78 | IK1 | 0.8690 |
79 | QC1 | 0.8673 |
80 | 5E1 | 0.8667 |
81 | CFK | 0.8662 |
82 | WCU | 0.8657 |
83 | 7BD | 0.8653 |
84 | AV6 | 0.8652 |
85 | 801 | 0.8652 |
86 | 8HH | 0.8651 |
87 | H35 | 0.8651 |
88 | 6T5 | 0.8641 |
89 | JF8 | 0.8640 |
90 | S13 | 0.8623 |
91 | DMB | 0.8621 |
92 | H2W | 0.8611 |
93 | IKY | 0.8609 |
94 | JNW | 0.8593 |
95 | SGW | 0.8581 |
96 | AOY | 0.8580 |
97 | GN5 | 0.8575 |
98 | RE2 | 0.8564 |
99 | 5WW | 0.8564 |
100 | WA2 | 0.8552 |
101 | FNT | 0.8536 |
102 | 3N0 | 0.8531 |
103 | IDZ | 0.8530 |
104 | GVI | 0.8530 |
105 | BJ4 | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 6yap.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |