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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 5 families. | |||||
1 | 5THU | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
2 | 5D1D | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
3 | 5DC7 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
4 | 4QA4 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
5 | 2V5X | ic50 = 100 nM | V5X | C36 H41 N5 O5 | Cc1c(c2cc(.... |
6 | 4QA6 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
7 | 5THT | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
8 | 4QA0 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
9 | 4QA2 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
10 | 3SFF | ic50 = 200 nM | 0DI | C20 H20 Cl F2 N3 O2 | c1cc(cc(c1.... |
11 | 1W22 | ic50 = 175.5 nM | NHB | C17 H15 N3 O4 S2 | CN(c1ccc(c.... |
12 | 3RQD | - | 02G GLY BB9 03Y VAL | n/a | n/a |
13 | 3MZ4 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
14 | 5THV | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
15 | 5DC6 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
16 | 3EW8 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
17 | 1VKG | - | CRI | C24 H23 N3 O4 | Cc1ccc(cc1.... |
18 | 3MZ6 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
19 | 5THS | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
20 | 3EWF | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
21 | 3MZ7 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
22 | 5DC5 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
23 | 4QA5 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
24 | 1T64 | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
25 | 4QA7 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
26 | 4RN2 | ic50 = 1500 nM | L7G | C23 H31 N5 O3 S2 | CC(C)[C@H].... |
27 | 1T67 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
28 | 6HSK | - | GOK | C21 H26 N6 O2 | Cn1cc(c2c1.... |
29 | 4RN1 | - | L8G | C23 H31 N5 O3 S2 | CC(C)[C@H].... |
30 | 4QA1 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
31 | 5VI6 | - | PHE PHE CPI 5OM | n/a | n/a |
32 | 5FCW | ic50 = 0.3 uM | 5YA | C17 H13 N O2 | c1ccc2c(c1.... |
33 | 5D1C | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
34 | 5DC8 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
35 | 2V5W | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
36 | 4RN0 | ic50 = 255 nM | L6G | C21 H29 N5 O3 S3 | CC(C)[C@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5THU | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
2 | 5D1D | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
3 | 5DC7 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
4 | 4QA4 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
5 | 2V5X | ic50 = 100 nM | V5X | C36 H41 N5 O5 | Cc1c(c2cc(.... |
6 | 4QA6 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
7 | 5THT | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
8 | 4QA0 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
9 | 4QA2 | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
10 | 3SFF | ic50 = 200 nM | 0DI | C20 H20 Cl F2 N3 O2 | c1cc(cc(c1.... |
11 | 1W22 | ic50 = 175.5 nM | NHB | C17 H15 N3 O4 S2 | CN(c1ccc(c.... |
12 | 3RQD | - | 02G GLY BB9 03Y VAL | n/a | n/a |
13 | 3MZ4 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
14 | 5THV | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
15 | 5DC6 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
16 | 3EW8 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
17 | 1VKG | - | CRI | C24 H23 N3 O4 | Cc1ccc(cc1.... |
18 | 3MZ6 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
19 | 5THS | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
20 | 3EWF | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
21 | 3MZ7 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
22 | 5DC5 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
23 | 4QA5 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
24 | 1T64 | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
25 | 4QA7 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
26 | 4RN2 | ic50 = 1500 nM | L7G | C23 H31 N5 O3 S2 | CC(C)[C@H].... |
27 | 1T67 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
28 | 6HSK | - | GOK | C21 H26 N6 O2 | Cn1cc(c2c1.... |
29 | 4RN1 | - | L8G | C23 H31 N5 O3 S2 | CC(C)[C@H].... |
30 | 4QA1 | - | B3N | C16 H25 N3 O3 | CN(C)c1ccc.... |
31 | 5VI6 | - | PHE PHE CPI 5OM | n/a | n/a |
32 | 5FCW | ic50 = 0.3 uM | 5YA | C17 H13 N O2 | c1ccc2c(c1.... |
33 | 5D1C | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
34 | 5DC8 | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
35 | 2V5W | - | ACE ARG HIS ALY ALY MCM | n/a | n/a |
36 | 4RN0 | ic50 = 255 nM | L6G | C21 H29 N5 O3 S3 | CC(C)[C@H].... |
37 | 5IX0 | ic50 = 0.168 uM | 6EZ | C20 H21 F N2 O2 | c1cc(ccc1c.... |
38 | 4LY1 | ic50 = 0.0563 uM | 20Y | C19 H17 N3 O2 S | CC(=O)Nc1c.... |
39 | 4LXZ | ic50 = 0.251 uM | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
40 | 6G3O | - | EL8 | C18 H20 F3 N3 O5 | C[C@H](CCC.... |
41 | 5IWG | ic50 = 0.062 uM | IWX | C18 H19 F N2 O2 | c1cc(ccc1c.... |
42 | 3MAX | ic50 = 0.027 uM | LLX | C19 H16 N2 O | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | V5X | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 2v5x.bio1) has 64 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2v5x.bio2) has 64 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |