SEQ2FUN

BioLiP

PDB CCD ID: A1IX3
Number of entries in BioLiP: 1
Chemical formula: C22 H27 N O4
InChI: InChI=1S/C22H27NO4/c24-21(23-19-5-3-1-2-4-6-19)15-27-20-11-10-17-9-7-16(8-12-22(25)26)13-18(17)14-20/h7,9-11,13-14,19H,1-6,8,12,15H2,(H,23,24)(H,25,26)
InChIKey: NOUZBDWDCVUKDP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCc1ccc2ccc(OCC(=O)NC3CCCCCC3)cc2c1
OpenEye OEToolkits 2.0.7c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCCC3)CCC(=O)O
Name:3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
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).