SEQ2FUN

BioLiP

PDB CCD ID: GAJ
Number of entries in BioLiP: 1
Chemical formula: C14 H9 N5 O4 S
InChI: InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
InChIKey: HJWYZPGYPZNDTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1c2ccccc2Oc3ccc(cc13)[S](=O)(=O)N=C4NN=NN4
ACDLabs 10.04O=S(=O)(/N=C1/NN=NN1)c3cc2C(=O)c4c(Oc2cc3)cccc4
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4
Name:N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 SULPHONAMIDE;
N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE
ChEMBL: CHEMBL202311
DrugBank: DB04698
ZINC: ZINC000013681668
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).