BioLiP

PDB

BioLiP

PDB CCD ID:

6HY

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O4

InChI:

InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)

InChIKey:

OMAJIMAYOJBLJF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCC(=O)C1=CNC(=O)C=C1
OpenEye OEToolkits 2.0.4	C1=CC(=O)NC=C1C(=O)CCC(=O)O

Name:

4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid

ZINC:

ZINC000032147064

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).