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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 1 families. | |||||
1 | 3ZKY | - | WT4 | C14 H25 N3 O6 S2 | CSC[C@H](C.... |
2 | 2Y6F | - | M9F | C14 H25 N3 O6 S2 | CC([C@H](C.... |
3 | 1HB2 | - | SCV | C14 H22 N2 O8 S | CC(C)[C@H].... |
4 | 1ODN | - | APV | C13 H19 N3 O7 S | C(C[C@@H](.... |
5 | 2VBB | - | VAZ | C13 H22 N2 O9 S2 | CS[C@@H]([.... |
6 | 3ZKU | - | HCV | C15 H27 N3 O6 S | CC(C)[C@H].... |
7 | 2VBP | - | VB1 | C13 H23 N3 O6 S | CC[C@@H](C.... |
8 | 4BB3 | - | KKA | C10 H18 N2 O5 S | C(C[C@@H](.... |
9 | 1QJE | - | IP1 | C14 H21 N3 O6 S | CC1([C@@H].... |
10 | 1HB4 | - | SCV | C14 H22 N2 O8 S | CC(C)[C@H].... |
11 | 2BU9 | - | HFV | C14 H19 F6 N3 O6 S | C(C[C@@H](.... |
12 | 1W06 | - | W05 | C12 H21 N3 O6 S | C[C@H](C(=.... |
13 | 1OC1 | - | ASV | C13 H21 N3 O6 S | C=C[C@H](C.... |
14 | 1HB1 | - | OCV | C14 H24 N2 O7 S | CC(C)[C@H].... |
15 | 2IVJ | - | BCV | C14 H23 N3 O6 S | C1CC1[C@H].... |
16 | 2JB4 | - | A14 | C15 H22 N2 O6 S | CC1([C@@H].... |
17 | 2VCM | - | M11 | C15 H26 N2 O7 S | CC(C)[C@H].... |
18 | 1W04 | - | HCG | C11 H19 N3 O6 S | C(C[C@@H](.... |
19 | 1W3X | - | W2X | C15 H24 N2 O8 S | C[C@H](CO).... |
20 | 6Y0O | - | ACV | C14 H25 N3 O6 S | CC(C)[C@H].... |
21 | 1HB3 | - | SCV | C14 H22 N2 O8 S | CC(C)[C@H].... |
22 | 1ODM | - | ASV | C13 H21 N3 O6 S | C=C[C@H](C.... |
23 | 2Y60 | - | M8F | C14 H25 N3 O6 S2 | CSCC[C@H](.... |
24 | 1W3V | - | MDZ | C15 H26 N2 O7 S | CC(C)[C@H].... |
25 | 1QJF | - | ACS | C13 H21 N3 O7 S2 | C[S@](=O)C.... |
26 | 1UZW | - | CDH | C14 H23 N3 O6 S | CC(=C)[C@H.... |
27 | 2IVI | - | ACW | C15 H25 N3 O6 S | CC1(CC1)[C.... |
28 | 2VAU | - | V20 | C13 H22 N2 O7 S2 | CSC[C@H](C.... |
29 | 1W03 | - | HCG | C11 H19 N3 O6 S | C(C[C@@H](.... |
30 | 1BK0 | - | ACV | C14 H25 N3 O6 S | CC(C)[C@H].... |
31 | 1OBN | - | ASV | C13 H21 N3 O6 S | C=C[C@H](C.... |
32 | 3ZOI | - | M2W | C14 H25 N3 O7 S | C[C@@H]([C.... |
33 | 2VBD | - | V10 | C13 H22 N2 O7 S2 | CSC[C@@H](.... |
34 | 1W05 | - | W05 | C12 H21 N3 O6 S | C[C@H](C(=.... |
35 | 2WO7 | - | ASV | C13 H21 N3 O6 S | C=C[C@H](C.... |
36 | 1QIQ | - | ACC | C13 H24 N3 O6 S2 | CSC[C@H](C.... |
37 | 1BLZ | - | ACV | C14 H25 N3 O6 S | CC(C)[C@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3ZKY | - | WT4 | C14 H25 N3 O6 S2 | CSC[C@H](C.... |
2 | 2Y6F | - | M9F | C14 H25 N3 O6 S2 | CC([C@H](C.... |
3 | 1HB2 | - | SCV | C14 H22 N2 O8 S | CC(C)[C@H].... |
4 | 1ODN | - | APV | C13 H19 N3 O7 S | C(C[C@@H](.... |
5 | 2VBB | - | VAZ | C13 H22 N2 O9 S2 | CS[C@@H]([.... |
6 | 3ZKU | - | HCV | C15 H27 N3 O6 S | CC(C)[C@H].... |
7 | 2VBP | - | VB1 | C13 H23 N3 O6 S | CC[C@@H](C.... |
8 | 4BB3 | - | KKA | C10 H18 N2 O5 S | C(C[C@@H](.... |
9 | 1QJE | - | IP1 | C14 H21 N3 O6 S | CC1([C@@H].... |
10 | 1HB4 | - | SCV | C14 H22 N2 O8 S | CC(C)[C@H].... |
11 | 2BU9 | - | HFV | C14 H19 F6 N3 O6 S | C(C[C@@H](.... |
12 | 1W06 | - | W05 | C12 H21 N3 O6 S | C[C@H](C(=.... |
13 | 1OC1 | - | ASV | C13 H21 N3 O6 S | C=C[C@H](C.... |
14 | 1HB1 | - | OCV | C14 H24 N2 O7 S | CC(C)[C@H].... |
15 | 2IVJ | - | BCV | C14 H23 N3 O6 S | C1CC1[C@H].... |
16 | 2JB4 | - | A14 | C15 H22 N2 O6 S | CC1([C@@H].... |
17 | 2VCM | - | M11 | C15 H26 N2 O7 S | CC(C)[C@H].... |
18 | 1W04 | - | HCG | C11 H19 N3 O6 S | C(C[C@@H](.... |
19 | 1W3X | - | W2X | C15 H24 N2 O8 S | C[C@H](CO).... |
20 | 6Y0O | - | ACV | C14 H25 N3 O6 S | CC(C)[C@H].... |
21 | 1HB3 | - | SCV | C14 H22 N2 O8 S | CC(C)[C@H].... |
22 | 1ODM | - | ASV | C13 H21 N3 O6 S | C=C[C@H](C.... |
23 | 2Y60 | - | M8F | C14 H25 N3 O6 S2 | CSCC[C@H](.... |
24 | 1W3V | - | MDZ | C15 H26 N2 O7 S | CC(C)[C@H].... |
25 | 1QJF | - | ACS | C13 H21 N3 O7 S2 | C[S@](=O)C.... |
26 | 1UZW | - | CDH | C14 H23 N3 O6 S | CC(=C)[C@H.... |
27 | 2IVI | - | ACW | C15 H25 N3 O6 S | CC1(CC1)[C.... |
28 | 2VAU | - | V20 | C13 H22 N2 O7 S2 | CSC[C@H](C.... |
29 | 1W03 | - | HCG | C11 H19 N3 O6 S | C(C[C@@H](.... |
30 | 1BK0 | - | ACV | C14 H25 N3 O6 S | CC(C)[C@H].... |
31 | 1OBN | - | ASV | C13 H21 N3 O6 S | C=C[C@H](C.... |
32 | 3ZOI | - | M2W | C14 H25 N3 O7 S | C[C@@H]([C.... |
33 | 2VBD | - | V10 | C13 H22 N2 O7 S2 | CSC[C@@H](.... |
34 | 1W05 | - | W05 | C12 H21 N3 O6 S | C[C@H](C(=.... |
35 | 2WO7 | - | ASV | C13 H21 N3 O6 S | C=C[C@H](C.... |
36 | 1QIQ | - | ACC | C13 H24 N3 O6 S2 | CSC[C@H](C.... |
37 | 1BLZ | - | ACV | C14 H25 N3 O6 S | CC(C)[C@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ACV | 1 | 1 |
2 | HCV | 0.77193 | 1 |
3 | M9F | 0.758621 | 0.906977 |
4 | M2W | 0.745763 | 0.866667 |
5 | VB1 | 0.714286 | 0.926829 |
6 | W05 | 0.714286 | 0.95 |
7 | HFV | 0.7 | 0.787234 |
8 | CDH | 0.65 | 0.844444 |
9 | M8F | 0.629032 | 0.863636 |
10 | BCV | 0.622951 | 0.880952 |
11 | ASV | 0.622951 | 0.880952 |
12 | ACW | 0.609375 | 0.826087 |
13 | OCV | 0.603175 | 0.860465 |
14 | HCG | 0.6 | 0.902439 |
15 | KKA | 0.561404 | 0.875 |
16 | V10 | 0.529412 | 0.765957 |
17 | V20 | 0.529412 | 0.765957 |
18 | WT4 | 0.514706 | 0.883721 |
19 | M11 | 0.463768 | 0.772727 |
20 | MDZ | 0.463768 | 0.772727 |
21 | SCV | 0.442857 | 0.73913 |
22 | ACC | 0.442857 | 0.844444 |
23 | GSH | 0.430769 | 0.878049 |
24 | 3GC | 0.423729 | 0.85 |
25 | VAZ | 0.421053 | 0.672727 |
26 | HGS | 0.41791 | 0.860465 |
27 | MHI | 0.405797 | 0.85 |
28 | REZ | 0.403226 | 0.738095 |
This union binding pocket(no: 1) in the query (biounit: 1odm.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |