SEQ2FUN

BioLiP

PDB CCD ID: PL0
Number of entries in BioLiP: 4
Chemical formula: C7 H9 N3
InChI: InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKey: QRJZGVVKGFIGLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=N)Nc1ccccc1
ACDLabs 10.04[N@H]=C(Nc1ccccc1)N
OpenEye OEToolkits 1.5.0[H]N=C(N)Nc1ccccc1
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\Nc1ccccc1
Name:1-phenylguanidine
ChEMBL: CHEMBL14047
ZINC: ZINC000004276940
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).