SEQ2FUN

BioLiP

PDB CCD ID: 3DI
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)
InChIKey: SXPNWQIDNWGAEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc(c1)c2[nH]ncc2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)N)c2ccn[nH]2
Name:3-(1~{H}-pyrazol-5-yl)aniline;
3-(1H-pyrazol-5yl)aniline
ChEMBL: CHEMBL5201189
ZINC: ZINC000004293774
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).