SEQ2FUN

BioLiP

PDB CCD ID: PVF
Number of entries in BioLiP: 1
Chemical formula: C14 H14 Cl N O
InChI: InChI=1S/C14H14ClNO/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8H,9-10,16H2
InChIKey: CHSPACIWWGSTQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1ccc(COc2cc(CN)ccc2)cc1
CACTVS 3.385NCc1cccc(OCc2ccc(Cl)cc2)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OCc2ccc(cc2)Cl)CN
Name:1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine
ZINC: ZINC000011801327
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).