- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 3 families. | |||||
1 | 6OAK | ic50 = 0.4 uM | M0M | C13 H21 N5 O2 S2 | CN1C2=C(C(.... |
2 | 6HML | - | 73L | C23 H28 N6 O4 S2 | Cc1c(sc(n1.... |
3 | 4NA0 | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
4 | 6HMK | - | 7JC | C18 H20 N4 O4 S2 | Cc1ncc(s1).... |
5 | 6OA3 | ic50 = 0.4 uM | M0M | C13 H21 N5 O2 S2 | CN1C2=C(C(.... |
6 | 5A7R | - | AR6 AR6 | n/a | n/a |
7 | 6HH6 | - | A3R | C15 H24 N6 O11 P2 | c1nc(c2c(n.... |
8 | 6OA1 | ic50 = 25.7 uM | M0P | C13 H19 N5 O3 S | CN1c2c([nH.... |
9 | 4N9Z | - | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
10 | 4NA4 | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
11 | 6OA0 | - | M1D | C11 H14 N4 O4 | CN1c2c(n(c.... |
12 | 4N9Y | - | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
13 | 6O9X | ic50 = 0.9 uM | M0S | C13 H19 N5 O S2 | CN1c2c(nc(.... |
14 | 6OAL | ic50 = 25.7 uM | M0P | C13 H19 N5 O3 S | CN1c2c([nH.... |
15 | 6HMM | - | 7JB | C18 H17 N O4 S | CC(C)(C)NS.... |
16 | 6O9Y | - | M0V | C14 H21 N5 O4 | CN1c2c(n(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 6OAK | ic50 = 0.4 uM | M0M | C13 H21 N5 O2 S2 | CN1C2=C(C(.... |
2 | 6HML | - | 73L | C23 H28 N6 O4 S2 | Cc1c(sc(n1.... |
3 | 4NA0 | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
4 | 6HMK | - | 7JC | C18 H20 N4 O4 S2 | Cc1ncc(s1).... |
5 | 6OA3 | ic50 = 0.4 uM | M0M | C13 H21 N5 O2 S2 | CN1C2=C(C(.... |
6 | 5A7R | - | AR6 AR6 | n/a | n/a |
7 | 6HH6 | - | A3R | C15 H24 N6 O11 P2 | c1nc(c2c(n.... |
8 | 6OA1 | ic50 = 25.7 uM | M0P | C13 H19 N5 O3 S | CN1c2c([nH.... |
9 | 4N9Z | - | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
10 | 4NA4 | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
11 | 6OA0 | - | M1D | C11 H14 N4 O4 | CN1c2c(n(c.... |
12 | 4N9Y | - | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
13 | 6O9X | ic50 = 0.9 uM | M0S | C13 H19 N5 O S2 | CN1c2c(nc(.... |
14 | 6OAL | ic50 = 25.7 uM | M0P | C13 H19 N5 O3 S | CN1c2c([nH.... |
15 | 6HMM | - | 7JB | C18 H17 N O4 S | CC(C)(C)NS.... |
16 | 6O9Y | - | M0V | C14 H21 N5 O4 | CN1c2c(n(c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | B2E | 0.9183 |
2 | 4B0 | 0.9147 |
3 | GJW | 0.9144 |
4 | R4E | 0.9139 |
5 | Z25 | 0.9103 |
6 | FSU | 0.9092 |
7 | NAR | 0.9072 |
8 | Q5M | 0.9072 |
9 | ML1 | 0.9062 |
10 | B0K | 0.9054 |
11 | 1Q4 | 0.9042 |
12 | ASE | 0.9033 |
13 | AC2 | 0.9019 |
14 | PNX | 0.9013 |
15 | DYZ | 0.9010 |
16 | ALJ | 0.8994 |
17 | PMM | 0.8990 |
18 | CDY | 0.8985 |
19 | 0HY | 0.8983 |
20 | GU7 | 0.8981 |
21 | JYW | 0.8971 |
22 | BC3 | 0.8966 |
23 | HWH | 0.8963 |
24 | 22T | 0.8946 |
25 | UN9 | 0.8939 |
26 | 3G3 | 0.8927 |
27 | JYK | 0.8921 |
28 | QNM | 0.8884 |
29 | 64F | 0.8876 |
30 | D87 | 0.8876 |
31 | QUB | 0.8868 |
32 | 3JL | 0.8867 |
33 | Q9P | 0.8863 |
34 | NEU | 0.8859 |
35 | M9K | 0.8858 |
36 | 8Y7 | 0.8853 |
37 | C09 | 0.8851 |
38 | UQ1 | 0.8835 |
39 | H0V | 0.8833 |
40 | FNT | 0.8832 |
41 | PE2 | 0.8831 |
42 | GA2 | 0.8824 |
43 | 5OU | 0.8820 |
44 | XG1 | 0.8815 |
45 | DBT | 0.8804 |
46 | QDR | 0.8802 |
47 | 1CE | 0.8798 |
48 | FIP | 0.8790 |
49 | 34L | 0.8790 |
50 | 3WK | 0.8790 |
51 | JXQ | 0.8788 |
52 | 9E3 | 0.8786 |
53 | DX6 | 0.8780 |
54 | 0RU | 0.8777 |
55 | 3IB | 0.8770 |
56 | JYE | 0.8767 |
57 | D80 | 0.8758 |
58 | HAN | 0.8753 |
59 | D9Q | 0.8751 |
60 | GI2 | 0.8749 |
61 | APQ | 0.8749 |
62 | B5A | 0.8742 |
63 | 5EZ | 0.8740 |
64 | ZIP | 0.8740 |
65 | CX4 | 0.8739 |
66 | IM5 | 0.8738 |
67 | F91 | 0.8738 |
68 | GZV | 0.8734 |
69 | UAY | 0.8733 |
70 | 9KZ | 0.8732 |
71 | 4WF | 0.8729 |
72 | 5HG | 0.8727 |
73 | 3TV | 0.8726 |
74 | SCE | 0.8722 |
75 | 74Z | 0.8722 |
76 | WG8 | 0.8702 |
77 | QEI | 0.8694 |
78 | M01 | 0.8682 |
79 | V13 | 0.8677 |
80 | K74 | 0.8676 |
81 | KU1 | 0.8675 |
82 | IAG | 0.8672 |
83 | LLG | 0.8664 |
84 | EMU | 0.8652 |
85 | IPL | 0.8651 |
86 | 7PS | 0.8646 |
87 | DE7 | 0.8645 |
88 | TQ3 | 0.8635 |
89 | KTM | 0.8631 |
90 | ZW2 | 0.8629 |
91 | QUG | 0.8625 |
92 | 5ER | 0.8623 |
93 | PQD | 0.8609 |
94 | LQG | 0.8603 |
95 | 4HG | 0.8602 |
96 | 35K | 0.8573 |
97 | 5M2 | 0.8572 |
98 | CKI | 0.8571 |
99 | HWB | 0.8562 |
100 | H35 | 0.8548 |
101 | ML2 | 0.8547 |
102 | DIH | 0.8547 |
103 | 5V3 | 0.8535 |
104 | CMG | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 6oak.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |