SEQ2FUN

BioLiP

PDB CCD ID: KRA
Number of entries in BioLiP: 0
Chemical formula: C16 H14 O3
InChI: InChI=1S/C16H14O3/c17-14-8-6-13(7-9-14)11-16(19)15(18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKey: PJJNUMKZYDTVRG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(C(=O)Cc1ccc(O)cc1)Cc2ccccc2
CACTVS 3.341Oc1ccc(CC(=O)C(=O)Cc2ccccc2)cc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O
Name:KURASOIN A;
1-(4-HYDROXY-PHENYL)-4-PHENYL-BUTANE-2,3-DIONE
ChEMBL: CHEMBL1233878
ZINC: ZINC000006529331
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).