SEQ2FUN

BioLiP

PDB CCD ID: TOR
Number of entries in BioLiP: 8
Chemical formula: C12 H21 N O8 S
InChI: InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
InChIKey: KJADKKWYZYXHBB-XBWDGYHZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C
ACDLabs 10.04O=S(=O)(OCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C)N
CACTVS 3.341CC1(C)O[C@@H]2CO[C@@]3(CO[S](N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
OpenEye OEToolkits 1.5.0CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C
CACTVS 3.341CC1(C)O[CH]2CO[C]3(CO[S](N)(=O)=O)OC(C)(C)O[CH]3[CH]2O1
Name:[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate;
topiramate
ChEMBL: CHEMBL220492
DrugBank: DB00273
ZINC: ZINC000095616603
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).