SEQ2FUN

BioLiP

PDB CCD ID: 7N9
Number of entries in BioLiP: 2
Chemical formula: C8 H11 Cl N O
InChI: InChI=1S/C8H10ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5,10H2,1H3/p+1
InChIKey: GIGGUFCYUVFLJZ-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1C[NH3+])Cl
CACTVS 3.385COc1ccc(Cl)cc1C[NH3+]
Name:(5-chloranyl-2-methoxy-phenyl)methylazanium
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).