SEQ2FUN

BioLiP

PDB CCD ID: P6A
Number of entries in BioLiP: 2
Chemical formula: C14 H10 Cl N O2
InChI: InChI=1S/C14H10ClNO2/c1-9-13(10-5-3-2-4-6-10)14(16-18-9)11-7-8-12(15)17-11/h2-8H,1H3
InChIKey: IPAVFMUBTIUYBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3
CACTVS 3.385Cc1onc(c2oc(Cl)cc2)c1c3ccccc3
ACDLabs 12.01Cc2c(c(c1oc(cc1)Cl)no2)c3ccccc3
Name:3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole
ChEMBL: CHEMBL363228
ZINC: ZINC000013583263
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).