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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 21 families. | |||||
1 | 2HAH | Ki = 10 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
2 | 3OGQ | ic50 = 30 nM | AB1 | C37 H48 N4 O5 | Cc1cccc(c1.... |
3 | 3FIV | - | ACE ALN VAL LEU ALA GLU ALN NH2 | n/a | n/a |
4 | 6FIV | Ki = 8.3 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
5 | 4FIV | Ki = 300 nM | LP1 | C45 H58 N6 O7 | CC[C@@H](C.... |
6 | 5FIV | Ki = 22 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
7 | 2FIV | - | ACE ALN VAL STA GLU ALN NH2 | n/a | n/a |
8 | 1B11 | Ki = 41 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
9 | 1FIV | Ki = 260 nM | ACE ALN VAL STA GLU ALN NH2 | n/a | n/a |
10 | 3OGP | ic50 = 36 nM | 017 | C27 H37 N3 O7 S | CC(C)C[N@@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 2HAH | Ki = 10 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
2 | 3OGQ | ic50 = 30 nM | AB1 | C37 H48 N4 O5 | Cc1cccc(c1.... |
3 | 3FIV | - | ACE ALN VAL LEU ALA GLU ALN NH2 | n/a | n/a |
4 | 6FIV | Ki = 8.3 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
5 | 4FIV | Ki = 300 nM | LP1 | C45 H58 N6 O7 | CC[C@@H](C.... |
6 | 5FIV | Ki = 22 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
7 | 2FIV | - | ACE ALN VAL STA GLU ALN NH2 | n/a | n/a |
8 | 1B11 | Ki = 41 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
9 | 1FIV | Ki = 260 nM | ACE ALN VAL STA GLU ALN NH2 | n/a | n/a |
10 | 3OGP | ic50 = 36 nM | 017 | C27 H37 N3 O7 S | CC(C)C[N@@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3TL | 1 | 1 |
2 | BBL | 0.521739 | 0.673913 |
3 | PHP | 0.506173 | 0.781818 |
4 | ZAF | 0.505882 | 0.759259 |
5 | A79 | 0.483146 | 0.7 |
6 | A76 | 0.483146 | 0.7 |
7 | A77 | 0.483146 | 0.7 |
8 | PHQ DTH | 0.472973 | 0.666667 |
9 | RUN | 0.465347 | 0.754386 |
10 | AGF | 0.460674 | 0.694915 |
11 | 0P1 | 0.447917 | 0.77193 |
12 | BAY | 0.441176 | 0.640625 |
13 | 2Z4 | 0.435897 | 0.758621 |
14 | AI | 0.411215 | 0.65625 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 2) in the query (biounit: 6fiv.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |