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BioLiP

PDB CCD ID: JFI
Number of entries in BioLiP: 3
Chemical formula: C19 H23 N3 O2
InChI: InChI=1S/C19H23N3O2/c23-19(21-9-10-22-11-13-24-14-12-22)18-3-1-16(2-4-18)15-17-5-7-20-8-6-17/h1-8H,9-15H2,(H,21,23)
InChIKey: ZOOXQEDPDUAHGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1Cc2ccncc2)C(=O)NCCN3CCOCC3
CACTVS 3.385O=C(NCCN1CCOCC1)c2ccc(Cc3ccncc3)cc2
Name:~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide
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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