BioLiP

PDB

BioLiP

PDB CCD ID:

4RV

Number of entries in BioLiP:

Chemical formula:

C15 H13 N5 O

InChI:

InChI=1S/C15H13N5O/c1-8-5-6-18-7-11(8)9-3-2-4-10-12(16)14(15(17)21)20-19-13(9)10/h2-7H,1H3,(H2,16,19)(H2,17,21)

InChIKey:

YHEHDRMGAHEUOQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccncc1c2cccc3c(N)c(nnc23)C(N)=O
ACDLabs 12.01	c3ncc(c2c1c(c(N)c(C(=O)N)nn1)ccc2)c(C)c3
OpenEye OEToolkits 1.9.2	Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N

Name:

4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide

ChEMBL:

CHEMBL3586444

ZINC:

ZINC000263621267

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).