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BioLiP Library

PDB CCD ID: KNN
Number of entries in BioLiP: 0
Chemical formula: C8 H11 N
InChI: InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
InChIKey: CJAAPVQEZPAQNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NCc1ccccc1C
CACTVS 3.370
OpenEye OEToolkits 1.7.0		Cc1ccccc1CN
Name:1-(2-methylphenyl)methanamine
ChEMBL: CHEMBL268246
ZINC: ZINC000000967194
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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