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BioLiP Library

PDB CCD ID: KE0
Number of entries in BioLiP: 2
Chemical formula: C9 H11 Cl2 N
InChI: InChI=1S/C9H11Cl2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6H,1-3,12H2
InChIKey: AQZQHHAQSFFDCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCCc1cc(Cl)cc(Cl)c1
OpenEye OEToolkits 2.0.7c1c(cc(cc1Cl)Cl)CCCN
Name:3-[3,5-bis(chloranyl)phenyl]propan-1-amine
ZINC: ZINC000034325817
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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