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BioLiP

PDB CCD ID: 4MN
Number of entries in BioLiP: 4
Chemical formula: C7 H9 N
InChI: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
InChIKey: RZXMPPFPUUCRFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1ccc(cc1)N
ACDLabs 12.01Nc1ccc(cc1)C
CACTVS 3.385Cc1ccc(N)cc1
Name:4-METHYLANILINE
ChEMBL: CHEMBL58521
ZINC: ZINC000004774057
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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