BioLiP

PDB

BioLiP

PDB CCD ID:

RJI

Number of entries in BioLiP:

Chemical formula:

C11 H9 N3 O4

InChI:

InChI=1S/C11H9N3O4/c12-8(15)7-9(16)13-11(18)14(10(7)17)6-4-2-1-3-5-6/h1-5,7H,(H2,12,15)(H,13,16,18)/t7-/m0/s1

InChIKey:

QCWWLBLYOGYJRV-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)N2C(=O)C(C(=O)NC2=O)C(=O)N
CACTVS 3.385	NC(=O)[CH]1C(=O)NC(=O)N(C1=O)c2ccccc2
OpenEye OEToolkits 1.7.6	c1ccc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N
CACTVS 3.385	NC(=O)[C@H]1C(=O)NC(=O)N(C1=O)c2ccccc2

Name:

2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE

ZINC:

ZINC000584905653

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).