BioLiP

PDB

BioLiP

PDB CCD ID:

6FQ

Number of entries in BioLiP:

Chemical formula:

C19 H10 N8 O2

InChI:

InChI=1S/C19H10N8O2/c20-9-10-4-5-11-8-14-17(21-19(29)22-18(14)28)27(15(11)6-10)13-3-1-2-12(7-13)16-23-25-26-24-16/h1-8H,(H,22,28,29)(H,23,24,25,26)

InChIKey:

NDVGJTJBERLSGL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5
CACTVS 3.385	O=C1NC(=O)C2=Cc3ccc(cc3N(c4cccc(c4)c5[nH]nnn5)C2=N1)C#N
ACDLabs 12.01	N2C(N=C1N(c3cc(C#N)ccc3C=C1C2=O)c5cc(c4nnnn4)ccc5)=O

Name:

2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile

ChEMBL:

CHEMBL2420480

ZINC:

ZINC000096282687

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).