BioLiP

PDB

BioLiP

PDB CCD ID:

MUX

Number of entries in BioLiP:

Chemical formula:

C10 H8 O6 S

InChI:

InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)

InChIKey:

FUYLLJCBCKRIAL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=CC(=O)Oc2cc(O[S](O)(=O)=O)ccc12
OpenEye OEToolkits 1.9.2	CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O
ACDLabs 12.01	O=S(=O)(O)Oc2ccc1c(OC(=O)C=C1C)c2

Name:

(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate

ChEMBL:

CHEMBL2074784

ZINC:

ZINC000001532301

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).