SEQ2FUN

BioLiP

PDB CCD ID: 7PN
Number of entries in BioLiP: 8
Chemical formula: C19 H14 F N O
InChI: InChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)
InChIKey: VROYHHCUXRMIQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c3c(ccc(c3c1)NC(=O)c4ccc(cc4)F)CC2
CACTVS 3.385Fc1ccc(cc1)C(=O)Nc2ccc3CCc4cccc2c34
Name:N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-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).