SEQ2FUN

BioLiP

PDB CCD ID: T1Z
Number of entries in BioLiP: 1
Chemical formula: C9 H7 Cl2 N3 O
InChI: InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2
InChIKey: DMIRTDWEKUNBDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1cn(nn1)c2ccc(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.7c1cc(c(cc1n2cc(nn2)CO)Cl)Cl
Name:[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol
ChEMBL: CHEMBL1823290
ZINC: ZINC000001387965
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).