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BioLiP Library

PDB CCD ID: 8YU
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N
InChI: InChI=1S/C9H13N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6,10H2,1-2H3
InChIKey: ZFDBHFFKSQCNML-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cccc(c1CN)C
CACTVS 3.385Cc1cccc(C)c1CN
Name:(2,6-dimethylphenyl)methanamine
ChEMBL: CHEMBL4529599
ZINC: ZINC000002574328
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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