SEQ2FUN

BioLiP

PDB CCD ID: H3R
Number of entries in BioLiP: 3
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey: QHRSESMSOJZMCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c(cc(c1ccccc1)n2)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		Cc1cc([nH]n1)c2ccccc2
Name:5-METHYL-3-PHENYL-1H-PYRAZOLE
ChEMBL: CHEMBL1411986
ZINC: ZINC000003832560
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).