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BioLiP

PDB CCD ID: B3F
Number of entries in BioLiP: 1
Chemical formula: C20 H26 N2 O2
InChI: InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23)
InChIKey: PLPSUHSYADCJSK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1
OpenEye OEToolkits 2.0.7CCCCCOc1cccc(c1)Nc2ccccc2NC(=O)CC
Name:~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide
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)(download the PDF file).
  • 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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