SEQ2FUN

BioLiP

PDB CCD ID: P3J
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N4
InChI: InChI=1S/C8H8N4/c9-8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H3,9,11,12)
InChIKey: USKHSGIEOVXVFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1[nH]nc(c1)c2cccnc2
OpenEye OEToolkits 1.9.2c1cc(cnc1)c2cc([nH]n2)N
ACDLabs 12.01n1cccc(c1)c2nnc(c2)N
Name:3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE
ZINC: ZINC000004992729
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).