BioLiP

PDB

BioLiP

PDB CCD ID:

P9X

Number of entries in BioLiP:

Chemical formula:

C12 H10 O4

InChI:

InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1

InChIKey:

DFDGRKNOFOJBAJ-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1(C(=O)C=C(O1)C(=O)O)c2ccccc2
CACTVS 3.385	C[C@]1(OC(=CC1=O)C(O)=O)c2ccccc2
OpenEye OEToolkits 2.0.7	C[C@@]1(C(=O)C=C(O1)C(=O)O)c2ccccc2
CACTVS 3.385	C[C]1(OC(=CC1=O)C(O)=O)c2ccccc2

Name:

(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid;
Acifran

ZINC:

ZINC000000000010

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).