BioLiP

PDB

BioLiP

PDB CCD ID:

C0V

Number of entries in BioLiP:

Chemical formula:

C14 H10 O4

InChI:

InChI=1S/C14H10O4/c15-12(8-13(16)14(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,16H,(H,17,18)/b13-8-

InChIKey:

MXSFSJCCMVMMQM-JYRVWZFOSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2cc1ccccc1cc2C([C@H]=C(C(O)=O)O)=O
CACTVS 3.385	OC(=O)C(O)=CC(=O)c1ccc2ccccc2c1
OpenEye OEToolkits 2.0.6	c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O
OpenEye OEToolkits 2.0.6	c1ccc2cc(ccc2c1)C(=O)C=C(C(=O)O)O
CACTVS 3.385	OC(=O)\C(O)=C\C(=O)c1ccc2ccccc2c1

Name:

(2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid

ZINC:

ZINC000167822210

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).