SEQ2FUN

BioLiP

PDB CCD ID: TZF
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N3 O
InChI: InChI=1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-6-9-5-10-11/h1-6,12H
InChIKey: ZOPIBCDDKMAEII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1n2cncn2)O
CACTVS 3.370Oc1ccc(cc1)n2cncn2
ACDLabs 12.01n1cn(nc1)c2ccc(O)cc2
Name:4-(1H-1,2,4-triazol-1-yl)phenol
ChEMBL: CHEMBL3805962
ZINC: ZINC000000066097
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).