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BioLiP

PDB CCD ID: XYD
Number of entries in BioLiP: 5
Chemical formula: C8 H11 N
InChI: InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
InChIKey: VOWZNBNDMFLQGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Nc1cc(ccc1C)C
CACTVS 3.341Cc1ccc(C)c(N)c1
OpenEye OEToolkits 1.5.0Cc1ccc(c(c1)N)C
Name:2,5-DIMETHYLANILINE;
2,5-XYLIDINE
ChEMBL: CHEMBL249120
DrugBank: DB02163
ZINC: ZINC000003860836
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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