SEQ2FUN

BioLiP

PDB CCD ID: 01V
Number of entries in BioLiP: 0
Chemical formula: C7 H7 Cl2 N
InChI: InChI=1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey: AKGJLIXNRPNPCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1ccc(Cl)cc1CN
OpenEye OEToolkits 1.7.0c1cc(c(cc1Cl)CN)Cl
CACTVS 3.370NCc1cc(Cl)ccc1Cl
Name:1-(2,5-dichlorophenyl)methanamine
ChEMBL: CHEMBL12735
ZINC: ZINC000000167027
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).