SEQ2FUN

BioLiP

PDB CCD ID: 9VQ
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N2 O
InChI: InChI=1S/C11H12N2O/c14-9-11-4-2-10(3-5-11)8-13-7-1-6-12-13/h1-7,14H,8-9H2
InChIKey: ADLULGOPZPFWPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccc(Cn2cccn2)cc1
OpenEye OEToolkits 2.0.6c1cnn(c1)Cc2ccc(cc2)CO
Name:[4-(pyrazol-1-ylmethyl)phenyl]methanol
ZINC: ZINC000012370537
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).