SEQ2FUN

BioLiP

PDB CCD ID: A1CWL
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2 O
InChI: InChI=1S/C9H8N2O/c12-9-6-10-11(7-9)8-4-2-1-3-5-8/h1-7,12H
InChIKey: PAIIFXHEHLRVNC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)n2cc(cn2)O
CACTVS 3.385Oc1cnn(c1)c2ccccc2
ACDLabs 14.52Oc1cn(nc1)c1ccccc1
Name:1-phenyl-1H-pyrazol-4-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).