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BioLiP

PDB CCD ID: 8CI
Number of entries in BioLiP: 1
Chemical formula: C13 H17 N O2
InChI: InChI=1S/C13H17NO2/c14-13(15)11-5-7-12(8-6-11)16-9-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H2,14,15)
InChIKey: ONNDELCPTPJKGL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)N)OCC2CCCC2
CACTVS 3.385NC(=O)c1ccc(OCC2CCCC2)cc1
Name:4-(cyclopentylmethoxy)benzamide
ChEMBL: CHEMBL5206305
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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