SEQ2FUN

BioLiP

PDB CCD ID: 1PK
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N3
InChI: InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)
InChIKey: UNDUSVBXIVZGOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=Nc2cccc3cccc(N1)c23
ACDLabs 12.01N=3c2cccc1cccc(c12)NC=3N
OpenEye OEToolkits 1.7.6c1cc2cccc3c2c(c1)NC(=N3)N
Name:1H-perimidin-2-amine
ChEMBL: CHEMBL311074
ZINC: ZINC000016978457
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).