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BioLiP

PDB CCD ID: A1LY3
Number of entries in BioLiP: 1
Chemical formula: C13 H16 N2 O
InChI: InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
InChIKey: WNWALBVQAAIULR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COCCCc2cnc[nH]2
CACTVS 3.385C(COCc1ccccc1)Cc2[nH]cnc2
Name:5-(3-phenylmethoxypropyl)-1H-imidazole
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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