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BioLiP

PDB CCD ID: V7Q
Number of entries in BioLiP: 6
Chemical formula: C7 H7 N3 S
InChI: InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2
InChIKey: HMEXAOROCQLCJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)nsn2)CN
CACTVS 3.385NCc1cccc2nsnc12
Name:2,1,3-benzothiadiazol-4-ylmethanamine;
Benzo[c][1,2,5]thiadiazol-4-ylmethanamine;
2795209
ZINC: ZINC000002548455
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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