SEQ2FUN

BioLiP

PDB CCD ID: HX4
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
InChIKey: PWSZRRFDVPMZGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2cc(n[nH]2)N
CACTVS 3.385Nc1cc([nH]n1)c2ccccc2
ACDLabs 12.01c2cccc(c1nnc(N)c1)c2
Name:5-phenyl-1H-pyrazol-3-amine
ChEMBL: CHEMBL1650269
ZINC: ZINC000095093507
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).