Structure of PDB 6bbs Chain A Binding Site BS02 |
|
|
|
| Ligand ID | BZ1 |
| InChI | InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 |
| InChIKey | HCRKCZRJWPKOAR-JTQLQIEISA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC | | ACDLabs 12.01 | O=S(=O)(c1sc2c(c1)C(NCC)CN(S2(=O)=O)CCCOC)N | | OpenEye OEToolkits 1.7.6 | CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC | | CACTVS 3.385 | CCN[CH]1CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O | | CACTVS 3.385 | CCN[C@H]1CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O |
|
| Formula | C12 H21 N3 O5 S3 |
| Name | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE;
Brinzolamide |
| ChEMBL | CHEMBL220491 |
| DrugBank | DB01194 |
| ZINC | ZINC000003953037
|
| PDB chain | 6bbs Chain A Residue 302
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
