BioLiP

PDB

BioLiP

PDB CCD ID:

EKI

Number of entries in BioLiP:

Chemical formula:

C13 H15 N5 O3

InChI:

InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)

InChIKey:

HWODCHXORCTEGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O
ACDLabs 12.01	NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1
OpenEye OEToolkits 2.0.7	CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N

Name:

7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide

ChEMBL:

CHEMBL1977874

ZINC:

ZINC000063539695

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).