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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 31 families. | |||||
1 | 3UHM | ic50 = 3.6 nM | RFN | C17 H20 N2 O5 S | C[C@@](CCN.... |
2 | 7CI4 | ic50 = 8.97 uM | FXU | C12 H15 F3 N2 O4 S | CS(=O)(=O).... |
3 | 4LCH | - | 1WN | C27 H23 N3 O5 | C[C@](c1cc.... |
4 | 5U3B | ic50 = 1.5 nM | 7TD | C16 H21 N3 O4 | CC#CCOc1cc.... |
5 | 7CI9 | ic50 = 20 nM | FYL | C21 H24 N4 O5 | C[C@@H](c1.... |
6 | 7CI5 | ic50 = 5.69 uM | FXX | C11 H11 F3 N2 O4 | c1cc(cc(c1.... |
7 | 6MO5 | ic50 = 0.3 nM | JWP | C22 H26 N2 O7 S | CC(C)([C@@.... |
8 | 4J3D | ic50 = 5.3 nM | 1JS | C23 H25 N3 O5 | c1ccc(cc1).... |
9 | 2VES | - | GVR | C23 H20 N2 O4 S | c1ccc2cc(c.... |
10 | 5DRR | - | 5EN | C22 H19 F2 N3 O4 | C[C@]([C@@.... |
11 | 4LCG | - | 1WM | C26 H21 N3 O5 | c1cc(ccc1C.... |
12 | 7CIC | ic50 = 54.9 uM | FZ0 | C9 H9 F3 N2 O2 | c1cc(cc(c1.... |
13 | 3P3E | - | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
14 | 6MO4 | ic50 = 4.6 nM | JWM | C19 H22 N2 O6 S | CC(C)([C@@.... |
15 | 5N8C | - | 8Q8 | C27 H31 N5 O3 | CC(C)([C@@.... |
16 | 7K99 | - | W4M | C23 H27 N5 O3 S | CS[C@@H](C.... |
17 | 5DRQ | - | 5EM | C22 H22 N4 O3 | CC(C)([C@@.... |
18 | 5U39 | - | C90 | C24 H27 N3 O5 | C[C@H]([C@.... |
19 | 3U1Y | ic50 < 2.13 nM | 03I | C25 H34 N2 O6 S | C[C@@](CCc.... |
20 | 7CIB | - | FYR | C13 H10 O3 | c1ccc(cc1).... |
21 | 6MOO | ic50 = 19 nM | A5F | C20 H23 N3 O4 | CC(C)([C@@.... |
22 | 7CIE | ic50 = 12.8 uM | FZ6 | C10 H11 F3 N2 O3 | c1cc(cc(c1.... |
23 | 4LCF | - | 1WL | C23 H19 N5 O3 | c1cc(ccc1C.... |
24 | 7CID | ic50 = 125 uM | FZ3 | C12 H13 Cl N2 | c1cc(ccc1C.... |
25 | 7CI7 | ic50 = 0.00603 uM | FY9 | C26 H32 N2 O5 S | CS(=O)(=O).... |
26 | 6MAE | Kd = 0.065 nM | JBA | C19 H22 N2 O6 S | C[C@@](C[C.... |
27 | 7K9A | - | W8P | C23 H22 N6 O3 S | CS[C@H](Cn.... |
28 | 6MOD | ic50 = 0.71 nM | JWV | C19 H20 N2 O7 S | COC1(CS(=O.... |
29 | 3NZK | Ki = 0.54 nM | C90 | C24 H27 N3 O5 | C[C@H]([C@.... |
30 | 4MQY | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
31 | 4IS9 | - | LTF | C15 H20 N2 O5 | CCCc1cc(cc.... |
32 | 3PS1 | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
33 | 4ISA | - | GVR | C23 H20 N2 O4 S | c1ccc2cc(c.... |
34 | 3P3G | Ki = 0.18 nM | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
35 | 3PS2 | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
36 | 3PS3 | - | L53 | C21 H17 N3 O4 | C[C@@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 3UHM | ic50 = 3.6 nM | RFN | C17 H20 N2 O5 S | C[C@@](CCN.... |
2 | 7CI4 | ic50 = 8.97 uM | FXU | C12 H15 F3 N2 O4 S | CS(=O)(=O).... |
3 | 4LCH | - | 1WN | C27 H23 N3 O5 | C[C@](c1cc.... |
4 | 5U3B | ic50 = 1.5 nM | 7TD | C16 H21 N3 O4 | CC#CCOc1cc.... |
5 | 7CI9 | ic50 = 20 nM | FYL | C21 H24 N4 O5 | C[C@@H](c1.... |
6 | 7CI5 | ic50 = 5.69 uM | FXX | C11 H11 F3 N2 O4 | c1cc(cc(c1.... |
7 | 6MO5 | ic50 = 0.3 nM | JWP | C22 H26 N2 O7 S | CC(C)([C@@.... |
8 | 4J3D | ic50 = 5.3 nM | 1JS | C23 H25 N3 O5 | c1ccc(cc1).... |
9 | 2VES | - | GVR | C23 H20 N2 O4 S | c1ccc2cc(c.... |
10 | 5DRR | - | 5EN | C22 H19 F2 N3 O4 | C[C@]([C@@.... |
11 | 4LCG | - | 1WM | C26 H21 N3 O5 | c1cc(ccc1C.... |
12 | 7CIC | ic50 = 54.9 uM | FZ0 | C9 H9 F3 N2 O2 | c1cc(cc(c1.... |
13 | 3P3E | - | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
14 | 6MO4 | ic50 = 4.6 nM | JWM | C19 H22 N2 O6 S | CC(C)([C@@.... |
15 | 5N8C | - | 8Q8 | C27 H31 N5 O3 | CC(C)([C@@.... |
16 | 7K99 | - | W4M | C23 H27 N5 O3 S | CS[C@@H](C.... |
17 | 5DRQ | - | 5EM | C22 H22 N4 O3 | CC(C)([C@@.... |
18 | 5U39 | - | C90 | C24 H27 N3 O5 | C[C@H]([C@.... |
19 | 3U1Y | ic50 < 2.13 nM | 03I | C25 H34 N2 O6 S | C[C@@](CCc.... |
20 | 7CIB | - | FYR | C13 H10 O3 | c1ccc(cc1).... |
21 | 6MOO | ic50 = 19 nM | A5F | C20 H23 N3 O4 | CC(C)([C@@.... |
22 | 7CIE | ic50 = 12.8 uM | FZ6 | C10 H11 F3 N2 O3 | c1cc(cc(c1.... |
23 | 4LCF | - | 1WL | C23 H19 N5 O3 | c1cc(ccc1C.... |
24 | 7CID | ic50 = 125 uM | FZ3 | C12 H13 Cl N2 | c1cc(ccc1C.... |
25 | 7CI7 | ic50 = 0.00603 uM | FY9 | C26 H32 N2 O5 S | CS(=O)(=O).... |
26 | 6MAE | Kd = 0.065 nM | JBA | C19 H22 N2 O6 S | C[C@@](C[C.... |
27 | 7K9A | - | W8P | C23 H22 N6 O3 S | CS[C@H](Cn.... |
28 | 6MOD | ic50 = 0.71 nM | JWV | C19 H20 N2 O7 S | COC1(CS(=O.... |
29 | 5DRP | - | 5EP | C23 H23 N3 O3 | CC[C@H](C).... |
30 | 4U3D | - | 3BX | C26 H30 N2 O5 | c1cc(ccc1C.... |
31 | 5U86 | - | 81V | C25 H27 F2 N3 O5 | C[C@]([C@@.... |
32 | 4U3B | - | 3BW | C19 H20 Cl N O4 S | c1cc(ccc1O.... |
33 | 5DRO | - | ZH2 | C21 H19 N3 O4 | C[C@H]([C@.... |
34 | 2J65 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
35 | 3P3C | - | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
36 | 1P42 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
37 | 3P76 | - | P76 | C24 H27 N3 O4 | C[C@H]([C@.... |
38 | 2O3Z | Kd = 2 uM | AI7 | C14 H20 O3 | CCCCCCCOc1.... |
39 | 3NZK | Ki = 0.54 nM | C90 | C24 H27 N3 O5 | C[C@H]([C@.... |
40 | 4MQY | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
41 | 4IS9 | - | LTF | C15 H20 N2 O5 | CCCc1cc(cc.... |
42 | 3PS1 | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
43 | 4ISA | - | GVR | C23 H20 N2 O4 S | c1ccc2cc(c.... |
44 | 3P3G | Ki = 0.18 nM | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
45 | 3PS2 | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
46 | 3PS3 | - | L53 | C21 H17 N3 O4 | C[C@@H]([C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IPJ | 0.9360 |
2 | A8K | 0.9302 |
3 | SVG | 0.9299 |
4 | 5TO | 0.9193 |
5 | S0B | 0.9174 |
6 | MFY | 0.9171 |
7 | SAZ | 0.9168 |
8 | JGY | 0.9156 |
9 | 0H9 | 0.9154 |
10 | JF5 | 0.9147 |
11 | 4YZ | 0.9139 |
12 | OJD | 0.9139 |
13 | A9E | 0.9125 |
14 | S8P | 0.9116 |
15 | P93 | 0.9115 |
16 | BSU | 0.9097 |
17 | HCC | 0.9094 |
18 | LVP | 0.9082 |
19 | 11X | 0.9079 |
20 | IJ4 | 0.9078 |
21 | KPV | 0.9077 |
22 | 7HV | 0.9063 |
23 | 9RK | 0.9058 |
24 | 4P9 | 0.9053 |
25 | JON | 0.9024 |
26 | BGK | 0.9010 |
27 | DBE | 0.8996 |
28 | PZX | 0.8994 |
29 | TPM | 0.8986 |
30 | RB7 | 0.8985 |
31 | GHQ | 0.8981 |
32 | 3CX | 0.8977 |
33 | HAR | 0.8977 |
34 | 0XR | 0.8974 |
35 | SB7 | 0.8972 |
36 | BZM | 0.8969 |
37 | 5PV | 0.8959 |
38 | NRG | 0.8958 |
39 | HPK | 0.8942 |
40 | OGY | 0.8937 |
41 | L02 | 0.8933 |
42 | 9JH | 0.8930 |
43 | MKN | 0.8929 |
44 | 27K | 0.8927 |
45 | SCE | 0.8923 |
46 | F91 | 0.8916 |
47 | HPX | 0.8909 |
48 | 8YH | 0.8890 |
49 | A9B | 0.8886 |
50 | DTB | 0.8883 |
51 | XI7 | 0.8881 |
52 | 6C4 | 0.8880 |
53 | 3GZ | 0.8876 |
54 | D53 | 0.8868 |
55 | F5N | 0.8863 |
56 | 9J6 | 0.8863 |
57 | 4KJ | 0.8860 |
58 | 3KJ | 0.8851 |
59 | DA2 | 0.8843 |
60 | RDV | 0.8840 |
61 | 1Q2 | 0.8831 |
62 | ZE7 | 0.8826 |
63 | SB9 | 0.8824 |
64 | 0V7 | 0.8823 |
65 | 0OM | 0.8813 |
66 | 22F | 0.8812 |
67 | Q86 | 0.8809 |
68 | TBJ | 0.8807 |
69 | 6C5 | 0.8802 |
70 | 5V0 | 0.8802 |
71 | IJ1 | 0.8798 |
72 | REG | 0.8792 |
73 | 00G | 0.8791 |
74 | NFZ | 0.8785 |
75 | 4FP | 0.8776 |
76 | S0F | 0.8775 |
77 | JKK | 0.8760 |
78 | 1PS | 0.8754 |
79 | 94X | 0.8751 |
80 | G50 | 0.8751 |
81 | JCQ | 0.8743 |
82 | ALY | 0.8732 |
83 | 6FR | 0.8732 |
84 | ARG | 0.8724 |
85 | OUL | 0.8720 |
86 | G8V | 0.8717 |
87 | 0V8 | 0.8712 |
88 | PHQ ALA | 0.8699 |
89 | 4EU | 0.8695 |
90 | M5P | 0.8694 |
91 | U73 | 0.8674 |
92 | IPL | 0.8657 |
93 | N9M | 0.8650 |
94 | HMZ | 0.8647 |
95 | G27 | 0.8645 |
96 | 4VC | 0.8634 |
97 | CWP | 0.8631 |
98 | LPA | 0.8630 |
99 | X8W | 0.8630 |
100 | 0QA | 0.8628 |
101 | EXY | 0.8619 |
102 | DI9 | 0.8598 |
103 | EGV | 0.8597 |
104 | RE4 | 0.8585 |
105 | D1Y | 0.8578 |
106 | A6E | 0.8577 |
107 | 3IP | 0.8574 |
108 | D1G | 0.8574 |
109 | PQV | 0.8572 |
110 | 4Z0 | 0.8552 |
111 | ND5 | 0.8542 |
112 | 5VU | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 6mae.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |