SEQ2FUN

BioLiP

PDB CCD ID: BZ1
Number of entries in BioLiP: 4
Chemical formula: C12 H21 N3 O5 S3
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC
ACDLabs 12.01O=S(=O)(c1sc2c(c1)C(NCC)CN(S2(=O)=O)CCCOC)N
OpenEye OEToolkits 1.7.6CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC
CACTVS 3.385CCN[CH]1CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O
CACTVS 3.385CCN[C@H]1CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O
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
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).