SEQ2FUN

BioLiP

PDB CCD ID: RYD
Number of entries in BioLiP: 3
Chemical formula: C8 H9 N3 O
InChI: InChI=1S/C8H9N3O/c1-11-8-3-2-6(5-12)4-7(8)9-10-11/h2-4,12H,5H2,1H3
InChIKey: HVLCKOBNGNRDPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nnc2cc(CO)ccc12
OpenEye OEToolkits 2.0.6Cn1c2ccc(cc2nn1)CO
Name:(1-methylbenzotriazol-5-yl)methanol
ZINC: ZINC000000158987
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).