SEQ2FUN

BioLiP

PDB CCD ID: 7U7
Number of entries in BioLiP: 2
Chemical formula: C27 H29 N O5
InChI: InChI=1S/C27H29NO5/c29-26(30)10-2-1-5-17-32-25-8-4-3-7-22(25)19-28(23-15-16-23)27(31)21-13-11-20(12-14-21)24-9-6-18-33-24/h3-4,6-9,11-14,18,23H,1-2,5,10,15-17,19H2,(H,29,30)
InChIKey: CQKNIDGIDMCYLZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4occc4
OpenEye OEToolkits 2.0.6c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O
ACDLabs 12.01c4c(CN(C1CC1)C(c3ccc(c2occc2)cc3)=O)c(OCCCCCC(O)=O)ccc4
Name:6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
ChEMBL: CHEMBL4217067
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).