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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 6 families. | |||||
1 | 3T3R | Ki = 101 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
2 | 2FDY | - | D4G | C10 H8 N2 S2 | c1cnccc1SS.... |
3 | 2FDV | Ki = 800 nM | D2G | C11 H12 N2 O | CNCc1ccc(o.... |
4 | 4EJH | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
5 | 3EBS | Kd = 21 uM | N4E | C10 H13 N O2 | CCOc1ccc(c.... |
6 | 1Z10 | Kd = 0.27 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
7 | 4EJI | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
8 | 2FDU | Ki = 14200 nM | D1G | C12 H14 N2 O | CN(C)Cc1cc.... |
9 | 2FDW | Ki = 130 nM | D3G | C10 H10 N2 O | c1cc(cnc1).... |
10 | 2P85 | - | IND | C8 H7 N | c1ccc2c(c1.... |
11 | 1Z11 | Kd = 1.9 uM | 8MO | C12 H8 O4 | COc1c2c(cc.... |
12 | 4EJJ | Kd = 470 uM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
13 | 4EJG | - | NCT | C10 H14 N2 | C[N@@]1CCC.... |
14 | 3T3Q | Ki = 49 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
15 | 5E58 | Kd = 2.3 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
16 | 1NR6 | Kd ~ 50 uM | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
17 | 1N6B | Kd = 20 uM | DMZ | C17 H17 N3 O2 S | Cc1ccc(cc1.... |
18 | 4RRT | Kd = 1.82 uM | 3V4 | C10 H16 | CC1=CC[C@H.... |
19 | 4ZV8 | - | TMH | C10 H16 | CC1=CC[C@@.... |
20 | 5UEC | - | 85D | C10 H15 Br | CC1([C@@H].... |
21 | 3IBD | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
22 | 5UAP | - | 82S | C10 H17 Br | C[C@@]12CC.... |
23 | 4RQL | Kd = 0.08 uM | SNE | C10 H16 | CC(C)[C@@].... |
24 | 4I91 | Kd = 0.22 uM | TMH | C10 H16 | CC1=CC[C@@.... |
25 | 5UFG | - | 85D | C10 H15 Br | CC1([C@@H].... |
26 | 3QOA | Kd = 0.21 uM | 3QO | C12 H11 N | c1ccc(cc1).... |
27 | 5UDA | - | CAE | C10 H18 | CC1(C2CCC1.... |
28 | 2NNJ | Ki = 90 nM | 225 | C18 H19 Cl2 N O4 | CCOC(=O)C1.... |
29 | 3G5N | ic50 = 0.035 uM | PB2 | C16 H14 N2 | c1ccc(cc1).... |
30 | 3TMZ | ic50 = 2 uM | 06X | C20 H25 Cl N2 O5 | CCOC(=O)C1.... |
31 | 2BDM | ic50 = 0.9 uM | TMI | C22 H18 N2 | c1ccc(cc1).... |
32 | 4JLT | Kd = 0.7 uM | 8PR | C19 H20 F N O3 | c1cc(ccc1[.... |
33 | 4MGJ | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
34 | 1SUO | ic50 = 0.04 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
35 | 5W0C | - | 9W6 | C15 H12 N4 O4 S2 | CCOC(=O)NC.... |
36 | 4NZ2 | Kd = 2 uM | 2QJ | C16 H12 Br Cl F3 N O4 S | C[C@@](C(=.... |
37 | 5X24 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
38 | 5X23 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
39 | 1R9O | - | FLP | C15 H13 F O2 | C[C@@H](c1.... |
40 | 5XXI | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
41 | 5K7K | ic50 = 36 nM | 6RJ | C19 H12 Cl N5 O3 S2 | c1cc(c(cc1.... |
42 | 3T3Z | Ki = 765 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3T3R | Ki = 101 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
2 | 2FDY | - | D4G | C10 H8 N2 S2 | c1cnccc1SS.... |
3 | 2FDV | Ki = 800 nM | D2G | C11 H12 N2 O | CNCc1ccc(o.... |
4 | 4EJH | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
5 | 3EBS | Kd = 21 uM | N4E | C10 H13 N O2 | CCOc1ccc(c.... |
6 | 1Z10 | Kd = 0.27 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
7 | 4EJI | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
8 | 2FDU | Ki = 14200 nM | D1G | C12 H14 N2 O | CN(C)Cc1cc.... |
9 | 2FDW | Ki = 130 nM | D3G | C10 H10 N2 O | c1cc(cnc1).... |
10 | 2P85 | - | IND | C8 H7 N | c1ccc2c(c1.... |
11 | 1Z11 | Kd = 1.9 uM | 8MO | C12 H8 O4 | COc1c2c(cc.... |
12 | 4EJJ | Kd = 470 uM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
13 | 4EJG | - | NCT | C10 H14 N2 | C[N@@]1CCC.... |
14 | 3T3Q | Ki = 49 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
15 | 5E58 | Kd = 2.3 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
16 | 1NR6 | Kd ~ 50 uM | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
17 | 1N6B | Kd = 20 uM | DMZ | C17 H17 N3 O2 S | Cc1ccc(cc1.... |
18 | 4RRT | Kd = 1.82 uM | 3V4 | C10 H16 | CC1=CC[C@H.... |
19 | 4ZV8 | - | TMH | C10 H16 | CC1=CC[C@@.... |
20 | 5UEC | - | 85D | C10 H15 Br | CC1([C@@H].... |
21 | 3IBD | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
22 | 5UAP | - | 82S | C10 H17 Br | C[C@@]12CC.... |
23 | 4RQL | Kd = 0.08 uM | SNE | C10 H16 | CC(C)[C@@].... |
24 | 4I91 | Kd = 0.22 uM | TMH | C10 H16 | CC1=CC[C@@.... |
25 | 5UFG | - | 85D | C10 H15 Br | CC1([C@@H].... |
26 | 3QOA | Kd = 0.21 uM | 3QO | C12 H11 N | c1ccc(cc1).... |
27 | 5UDA | - | CAE | C10 H18 | CC1(C2CCC1.... |
28 | 2NNJ | Ki = 90 nM | 225 | C18 H19 Cl2 N O4 | CCOC(=O)C1.... |
29 | 4XRZ | ic50 = 0.37 uM | SI6 | C16 H16 F2 N4 O S | c1cc(c(cc1.... |
30 | 4WNU | - | QDN | C20 H24 N2 O2 | COc1ccc2c(.... |
31 | 4WNV | - | QI9 | C20 H24 N2 O2 | COc1ccc2c(.... |
32 | 4XRY | ic50 = 13.9 uM | SI5 | C17 H18 F2 N4 O S | Cn1cc(cn1).... |
33 | 3G5N | ic50 = 0.035 uM | PB2 | C16 H14 N2 | c1ccc(cc1).... |
34 | 3TMZ | ic50 = 2 uM | 06X | C20 H25 Cl N2 O5 | CCOC(=O)C1.... |
35 | 2BDM | ic50 = 0.9 uM | TMI | C22 H18 N2 | c1ccc(cc1).... |
36 | 4JLT | Kd = 0.7 uM | 8PR | C19 H20 F N O3 | c1cc(ccc1[.... |
37 | 4MGJ | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
38 | 1SUO | ic50 = 0.04 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
39 | 5W0C | - | 9W6 | C15 H12 N4 O4 S2 | CCOC(=O)NC.... |
40 | 4NZ2 | Kd = 2 uM | 2QJ | C16 H12 Br Cl F3 N O4 S | C[C@@](C(=.... |
41 | 5X24 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
42 | 5X23 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
43 | 1R9O | - | FLP | C15 H13 F O2 | C[C@@H](c1.... |
44 | 5XXI | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
45 | 5K7K | ic50 = 36 nM | 6RJ | C19 H12 Cl N5 O3 S2 | c1cc(c(cc1.... |
46 | 3T3Z | Ki = 765 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RKN | 0.9501 |
2 | H50 | 0.9402 |
3 | JTN | 0.9244 |
4 | SYD | 0.9222 |
5 | 5TT | 0.9216 |
6 | PQS | 0.9188 |
7 | 54E | 0.9168 |
8 | 72D | 0.9147 |
9 | 0LA | 0.9132 |
10 | PB2 | 0.9105 |
11 | NPS | 0.9080 |
12 | AWE | 0.9072 |
13 | SNV | 0.9067 |
14 | J2P | 0.9056 |
15 | A6Z | 0.9045 |
16 | S0A | 0.9045 |
17 | BX4 | 0.9038 |
18 | OQC | 0.9033 |
19 | PTB | 0.9024 |
20 | 7EH | 0.9019 |
21 | 90M | 0.8989 |
22 | 2OX | 0.8981 |
23 | FYR | 0.8979 |
24 | A5Q | 0.8964 |
25 | A9K | 0.8959 |
26 | T11 | 0.8959 |
27 | CT0 | 0.8949 |
28 | 1OT | 0.8946 |
29 | 5WK | 0.8944 |
30 | L15 | 0.8942 |
31 | T1N | 0.8940 |
32 | HHB | 0.8936 |
33 | KW7 | 0.8936 |
34 | 8V8 | 0.8927 |
35 | LOT | 0.8923 |
36 | 521 | 0.8916 |
37 | 4FC | 0.8905 |
38 | 6DH | 0.8904 |
39 | 7KE | 0.8903 |
40 | 72E | 0.8892 |
41 | PTR | 0.8889 |
42 | M5A | 0.8887 |
43 | 6P3 | 0.8875 |
44 | 613 | 0.8875 |
45 | AU8 | 0.8869 |
46 | 1Q1 | 0.8868 |
47 | QTD | 0.8868 |
48 | 9F5 | 0.8867 |
49 | NPX | 0.8855 |
50 | TLT | 0.8853 |
51 | 1OU | 0.8852 |
52 | N3Q | 0.8847 |
53 | 0OK | 0.8818 |
54 | E6Q | 0.8818 |
55 | D25 | 0.8815 |
56 | BSU | 0.8815 |
57 | HDI | 0.8812 |
58 | DES | 0.8808 |
59 | S45 | 0.8805 |
60 | PZJ | 0.8803 |
61 | 109 | 0.8801 |
62 | SWX | 0.8787 |
63 | 6PG | 0.8765 |
64 | PIC | 0.8756 |
65 | OSP | 0.8735 |
66 | 3UG | 0.8735 |
67 | J27 | 0.8728 |
68 | ESE | 0.8728 |
69 | 5TU | 0.8727 |
70 | PQM | 0.8716 |
71 | HPK | 0.8697 |
72 | ESJ | 0.8696 |
73 | IBP | 0.8690 |
74 | 121 | 0.8690 |
75 | 80G | 0.8688 |
76 | J84 | 0.8675 |
77 | REG | 0.8673 |
78 | BIH | 0.8668 |
79 | C0E | 0.8663 |
80 | 22J | 0.8653 |
81 | 1OS | 0.8642 |
82 | BIO | 0.8636 |
83 | 7AP | 0.8632 |
84 | 3W3 | 0.8626 |
85 | EZL | 0.8616 |
86 | J38 | 0.8612 |
87 | 3W6 | 0.8608 |
88 | TEF | 0.8606 |
89 | VGV | 0.8600 |
90 | M28 | 0.8597 |
91 | SJK | 0.8593 |
92 | 4CN | 0.8592 |
93 | 4AF | 0.8591 |
94 | 83D | 0.8590 |
95 | CIU | 0.8577 |
96 | EI1 | 0.8569 |
97 | 789 | 0.8566 |
98 | 16G | 0.8537 |
99 | G1L | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 5k7k.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |