Structure of PDB 6dpy Chain A Binding Site BS01 |
|
|
|
| Ligand ID | H7A |
| InChI | InChI=1S/C16H16FNO6S/c1-8-14(16(19)20)15(9(2)24-8)25(21,22)18-12-5-6-23-13-4-3-10(17)7-11(12)13/h3-4,7,12,18H,5-6H2,1-2H3,(H,19,20)/t12-/m1/s1 |
| InChIKey | YXLDXDUEWBKCKU-GFCCVEGCSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1oc(C)c(c1C(O)=O)[S](=O)(=O)N[CH]2CCOc3ccc(F)cc23 | | OpenEye OEToolkits 2.0.6 | Cc1c(c(c(o1)C)S(=O)(=O)N[C@@H]2CCOc3c2cc(cc3)F)C(=O)O | | OpenEye OEToolkits 2.0.6 | Cc1c(c(c(o1)C)S(=O)(=O)NC2CCOc3c2cc(cc3)F)C(=O)O | | CACTVS 3.385 | Cc1oc(C)c(c1C(O)=O)[S](=O)(=O)N[C@@H]2CCOc3ccc(F)cc23 | | ACDLabs 12.01 | C2CC(c1c(ccc(c1)F)O2)NS(c3c(c(C)oc3C)C(O)=O)(=O)=O |
|
| Formula | C16 H16 F N O6 S |
| Name | 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6dpy Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
