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BioLiP

PDB CCD ID: A4B
Number of entries in BioLiP: 1
Chemical formula: C14 H14 Cl N O
InChI: InChI=1S/C14H14ClNO/c1-17-14-5-3-2-4-12(14)11-7-6-10(9-16)8-13(11)15/h2-8H,9,16H2,1H3
InChIKey: LRYGKGSWWOPVKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccccc1c2ccc(cc2Cl)CN
CACTVS 3.385COc1ccccc1c2ccc(CN)cc2Cl
Name:[3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine
ChEMBL: CHEMBL4225463
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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