SEQ2FUN

BioLiP

PDB CCD ID: 3V7
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N3 O2
InChI: InChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2
InChIKey: XROZELKTFLMHSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCCn1cc(CO)nn1
OpenEye OEToolkits 1.9.2c1c(nnn1CCCO)CO
ACDLabs 12.01OCCCn1nnc(c1)CO
Name:3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol
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).