SEQ2FUN

BioLiP

PDB CCD ID: SH7
Number of entries in BioLiP: 13
Chemical formula: C17 H11 Cl O4
InChI: InChI=1S/C17H11ClO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3
InChIKey: BZDNWZYKPRTPIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(Cl)c3
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl
Name:(3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
ChEMBL: CHEMBL383153
ZINC: ZINC000013676449
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).