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BioLiP

PDB CCD ID: ANL
Number of entries in BioLiP: 14
Chemical formula: C6 H7 N
InChI: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)N
ACDLabs 10.04
CACTVS 3.341		Nc1ccccc1
Name:ANILINE
ChEMBL: CHEMBL538
DrugBank: DB06728
ZINC: ZINC000017886255
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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