SEQ2FUN

BioLiP

PDB CCD ID: A1BU2
Number of entries in BioLiP: 2
Chemical formula: C19 H21 F N2 O2
InChI: InChI=1S/C19H21FN2O2/c1-2-21-12-5-13-22-19(24)17-7-4-3-6-16(17)18(23)14-8-10-15(20)11-9-14/h3-4,6-11,21H,2,5,12-13H2,1H3,(H,22,24)
InChIKey: NSKBJHORKWYVKJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCNCCCNC(=O)c1ccccc1C(=O)c2ccc(F)cc2
ACDLabs 14.52O=C(c1ccc(F)cc1)c1ccccc1C(=O)NCCCNCC
OpenEye OEToolkits 3.1.0.0CCNCCCNC(=O)c1ccccc1C(=O)c2ccc(cc2)F
Name:N-[3-(ethylamino)propyl]-2-(4-fluorobenzoyl)benzamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).