BioLiP

PDB

BioLiP

PDB CCD ID:

HO1

Number of entries in BioLiP:

Chemical formula:

C13 H9 N5 O4

InChI:

InChI=1S/C13H9N5O4/c19-9-5-8(14-10(11(9)20)13(21)22)6-2-1-3-7(4-6)12-15-17-18-16-12/h1-5,20H,(H,14,19)(H,21,22)(H,15,16,17,18)

InChIKey:

KPXVENWWYNXYEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3
ACDLabs 12.01	OC(=O)C=1NC(=CC(C=1O)=O)c2cccc(c2)c3nnnn3
CACTVS 3.385	OC(=O)C1=C(O)C(=O)C=C(N1)c2cccc(c2)c3[nH]nnn3

Name:

3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid

ChEMBL:

CHEMBL4563716

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).