SEQ2FUN

BioLiP

PDB CCD ID: JFJ
Number of entries in BioLiP: 4
Chemical formula: C8 H10 Cl N
InChI: InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKey: ZPNLAQVYPIAHTO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNCc1cccc(c1)Cl
ACDLabs 12.01
CACTVS 3.385		CNCc1cccc(Cl)c1
Name:1-(3-chlorophenyl)-N-methylmethanamine
ChEMBL: CHEMBL1178161
ZINC: ZINC000000161986
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).