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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 7 families. | |||||
1 | 3DDB | ic50 = 94.9 uM | ARG ARG ALA THR LYS MET NH2 | n/a | n/a |
2 | 2G7Q | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
3 | 5V8U | - | 90M | C12 H12 F N3 O S | Cc1c(n[nH].... |
4 | 3QJ0 | Ki = 6.3 uM | QI3 | C17 H16 Cl2 N2 O5 S | c1cc(ccc1O.... |
5 | 3NF3 | Ki = 638.1 nM | ARG ARG PHE AIB ALA MET LEU ALA | n/a | n/a |
6 | 3QIZ | Ki = 6.1 uM | QI2 | C24 H32 F2 N2 O3 | Cc1cc(ccc1.... |
7 | 6XCF | - | UZP | C16 H22 Cl2 N2 O3 | CCCCCNC(=O.... |
8 | 6XCE | - | UZM | C14 H18 Cl2 N2 O3 S | c1cc(c(cc1.... |
9 | 2IMB | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
10 | 5V8P | Ki = 10.2 uM | 90G | C11 H10 Cl N3 O S | c1cc(ccc1c.... |
11 | 2ILP | ic50 = 15 uM | GB5 | C9 H8 Cl N O2 | c1cc(ccc1C.... |
12 | 3DS9 | - | 01W ARG TRP THR DAB MET LEU GLY | n/a | n/a |
13 | 5V8R | - | 90J | C11 H10 F N3 O S | c1cc(ccc1c.... |
14 | 3C8B | Ki = 786 nM | ARG ARG GLY ILE NH2 | n/a | n/a |
15 | 3C89 | Ki = 845 nM | ARG ARG GLY MET NH2 | n/a | n/a |
16 | 3C8A | Ki = 660 nM | ARG ARG GLY LEU NH2 | n/a | n/a |
17 | 3QIY | Ki = 4.6 uM | QI1 | C18 H20 Cl2 N2 O2 | c1cc(ccc1C.... |
18 | 3C88 | Ki = 157 nM | ARG ARG GLY CYS NH2 | n/a | n/a |
19 | 2IMA | Ki = 300 nM | GB4 | C9 H7 Cl2 N O2 | c1cc(c(cc1.... |
20 | 3BOO | Ki = 1.9 uM | ACE CSO ARG ALA THR LYS MET LEU | n/a | n/a |
21 | 4HEV | Ki = 460 nM | AXM | C12 H19 N O2 | C1C2CC3CC1.... |
22 | 3DDA | ic50 = 132.9 uM | GLN ARG ALA THR LYS MET NH2 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3DDB | ic50 = 94.9 uM | ARG ARG ALA THR LYS MET NH2 | n/a | n/a |
2 | 2G7Q | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
3 | 5V8U | - | 90M | C12 H12 F N3 O S | Cc1c(n[nH].... |
4 | 3QJ0 | Ki = 6.3 uM | QI3 | C17 H16 Cl2 N2 O5 S | c1cc(ccc1O.... |
5 | 3NF3 | Ki = 638.1 nM | ARG ARG PHE AIB ALA MET LEU ALA | n/a | n/a |
6 | 3QIZ | Ki = 6.1 uM | QI2 | C24 H32 F2 N2 O3 | Cc1cc(ccc1.... |
7 | 6XCF | - | UZP | C16 H22 Cl2 N2 O3 | CCCCCNC(=O.... |
8 | 6XCE | - | UZM | C14 H18 Cl2 N2 O3 S | c1cc(c(cc1.... |
9 | 2IMB | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
10 | 5V8P | Ki = 10.2 uM | 90G | C11 H10 Cl N3 O S | c1cc(ccc1c.... |
11 | 2ILP | ic50 = 15 uM | GB5 | C9 H8 Cl N O2 | c1cc(ccc1C.... |
12 | 3DS9 | - | 01W ARG TRP THR DAB MET LEU GLY | n/a | n/a |
13 | 5V8R | - | 90J | C11 H10 F N3 O S | c1cc(ccc1c.... |
14 | 3C8B | Ki = 786 nM | ARG ARG GLY ILE NH2 | n/a | n/a |
15 | 3C89 | Ki = 845 nM | ARG ARG GLY MET NH2 | n/a | n/a |
16 | 3C8A | Ki = 660 nM | ARG ARG GLY LEU NH2 | n/a | n/a |
17 | 3QIY | Ki = 4.6 uM | QI1 | C18 H20 Cl2 N2 O2 | c1cc(ccc1C.... |
18 | 3C88 | Ki = 157 nM | ARG ARG GLY CYS NH2 | n/a | n/a |
19 | 2IMA | Ki = 300 nM | GB4 | C9 H7 Cl2 N O2 | c1cc(c(cc1.... |
20 | 3BOO | Ki = 1.9 uM | ACE CSO ARG ALA THR LYS MET LEU | n/a | n/a |
21 | 4HEV | Ki = 460 nM | AXM | C12 H19 N O2 | C1C2CC3CC1.... |
22 | 3DDA | ic50 = 132.9 uM | GLN ARG ALA THR LYS MET NH2 | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 49K | 0.9497 |
2 | 29B | 0.9360 |
3 | GG5 | 0.9287 |
4 | RME | 0.9286 |
5 | I46 | 0.9283 |
6 | TDH | 0.9059 |
7 | 6G7 | 0.8994 |
8 | GLY PHE | 0.8972 |
9 | BPS | 0.8961 |
10 | 4BH | 0.8951 |
11 | OBP | 0.8939 |
12 | 1TM | 0.8918 |
13 | K3Y | 0.8916 |
14 | 1FF | 0.8916 |
15 | 583 | 0.8910 |
16 | ALA PHE | 0.8907 |
17 | B2T | 0.8901 |
18 | 2LX | 0.8900 |
19 | YJW | 0.8897 |
20 | BN1 | 0.8886 |
21 | 49N | 0.8868 |
22 | 8HH | 0.8857 |
23 | A04 | 0.8854 |
24 | U | 0.8849 |
25 | UMP | 0.8849 |
26 | 692 | 0.8844 |
27 | ACE PHE | 0.8837 |
28 | EVU | 0.8818 |
29 | BCK | 0.8817 |
30 | 25O | 0.8814 |
31 | 8WZ | 0.8801 |
32 | MOK | 0.8785 |
33 | 0GY | 0.8784 |
34 | ZME | 0.8774 |
35 | HKK | 0.8755 |
36 | A9O | 0.8743 |
37 | KTK | 0.8738 |
38 | 08D | 0.8737 |
39 | Z79 | 0.8728 |
40 | 1X8 | 0.8727 |
41 | YTZ | 0.8722 |
42 | OKM | 0.8713 |
43 | ISJ | 0.8709 |
44 | U5P | 0.8699 |
45 | JAA | 0.8692 |
46 | 3E2 | 0.8687 |
47 | HS6 | 0.8686 |
48 | 43P | 0.8685 |
49 | 1Z8 | 0.8675 |
50 | CP6 | 0.8671 |
51 | 6J9 | 0.8666 |
52 | 7G5 | 0.8661 |
53 | ID8 | 0.8653 |
54 | 6HM | 0.8649 |
55 | W29 | 0.8648 |
56 | TMP | 0.8637 |
57 | S0K | 0.8617 |
58 | VKE | 0.8607 |
59 | 7EN | 0.8604 |
60 | YJD | 0.8601 |
61 | PZB | 0.8599 |
62 | C5P | 0.8571 |
63 | B4O | 0.8569 |
64 | A8Q | 0.8536 |
65 | UP6 | 0.8521 |
66 | 5FS | 0.8516 |
67 | JR2 | 0.8502 |
This union binding pocket(no: 1) in the query (biounit: 3c88.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |