SEQ2FUN

BioLiP

PDB CCD ID: B1J
Number of entries in BioLiP: 4
Chemical formula: C9 H8 Cl N3 O
InChI: InChI=1S/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2
InChIKey: CAHIFLPAMJOAGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1n2cc(nn2)CO)Cl
CACTVS 3.385OCc1cn(nn1)c2ccc(Cl)cc2
Name:[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol
ChEMBL: CHEMBL1482091
ZINC: ZINC000000168973
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).