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BioLiP

PDB CCD ID: LV5
Number of entries in BioLiP: 1
Chemical formula: C6 H5 Cl2 N
InChI: InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1N)Cl)Cl
CACTVS 3.385Nc1ccc(Cl)c(Cl)c1
Name:3,4-Dichloroaniline
ChEMBL: CHEMBL1319813
ZINC: ZINC000000157572
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).
  • 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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