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BioLiP

PDB CCD ID: A4Q
Number of entries in BioLiP: 3
Chemical formula: C15 H16 Cl N
InChI: InChI=1S/C15H16ClN/c1-2-12-5-3-4-6-13(12)14-8-7-11(10-17)9-15(14)16/h3-9H,2,10,17H2,1H3
InChIKey: VCAZMKAHPZWESR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1ccccc1c2ccc(cc2Cl)CN
CACTVS 3.385CCc1ccccc1c2ccc(CN)cc2Cl
Name:[3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine
ChEMBL: CHEMBL4224990
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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