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BioLiP

PDB CCD ID: 2CM
Number of entries in BioLiP: 1
Chemical formula: C7 H8 Cl N
InChI: InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
InChIKey: WFNLHDJJZSJARK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(c1N)Cl
CACTVS 3.341Cc1cccc(Cl)c1N
ACDLabs 10.04Clc1cccc(c1N)C
Name:2-CHLORO-6-METHYL-ANILINE
ZINC: ZINC000000404327
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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