SEQ2FUN

BioLiP

PDB CCD ID: 7TV
Number of entries in BioLiP: 1
Chemical formula: C29 H33 N O5
InChI: InChI=1S/C29H33NO5/c31-28(32)14-2-1-7-19-34-27-12-6-3-9-24(27)21-30(25-10-4-5-11-25)29(33)23-17-15-22(16-18-23)26-13-8-20-35-26/h3,6,8-9,12-13,15-18,20,25H,1-2,4-5,7,10-11,14,19,21H2,(H,31,32)
InChIKey: ACPRTHSTODRCJL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3ccc(cc3)c4occc4
OpenEye OEToolkits 2.0.6c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O
ACDLabs 12.01c4c(CN(C1CCCC1)C(c2ccc(cc2)c3occc3)=O)c(OCCCCCC(=O)O)ccc4
Name:6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic 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).