SEQ2FUN

BioLiP

PDB CCD ID: GVG
Number of entries in BioLiP: 4
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey: XTXZCNATVCIKTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c[nH]n1)c2ccccc2
CACTVS 3.341Cc1n[nH]cc1c2ccccc2
ACDLabs 10.04n2c(c(c1ccccc1)cn2)C
Name:3-METHYL-4-PHENYL-1H-PYRAZOLE
ChEMBL: CHEMBL228114
ZINC: ZINC000004692749
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).