SEQ2FUN

BioLiP

PDB CCD ID: 0CU
Number of entries in BioLiP: 4
Chemical formula: C6 H3 Cl2 N3
InChI: InChI=1S/C6H3Cl2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11)
InChIKey: JIEIAVACOCLACU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Clc1cc(Cl)c2[nH]nnc2c1
ACDLabs 12.01Clc1cc2nnnc2c(Cl)c1
OpenEye OEToolkits 1.7.6c1c(cc(c2c1nn[nH]2)Cl)Cl
Name:5,7-dichloro-1H-benzotriazole
ZINC: ZINC000095921269
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).