SEQ2FUN

BioLiP

PDB CCD ID: A1AXL
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N2 O
InChI: InChI=1S/C11H12N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-7,14H,8H2,1H3
InChIKey: JTNWKZVHKLAHTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(cnn1c2ccccc2)CO
ACDLabs 12.01Cc1c(cnn1c1ccccc1)CO
CACTVS 3.385Cc1n(ncc1CO)c2ccccc2
Name:(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol
ChEMBL: CHEMBL4208586
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).