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BioLiP

PDB CCD ID: RKN
Number of entries in BioLiP: 2
Chemical formula: C14 H15 Cl N
InChI: InChI=1S/C14H14ClN/c1-16-10-11-7-8-13(14(15)9-11)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3/p+1
InChIKey: MDDYEXZTZUUWBH-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2
OpenEye OEToolkits 2.0.6C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2
Name:(3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium
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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