BioLiP

PDB

BioLiP

PDB CCD ID:

ZHJ

Number of entries in BioLiP:

Chemical formula:

C20 H19 N3 O5

InChI:

InChI=1S/C20H19N3O5/c1-28-15-11-12(7-8-14(15)24)9-10-21-19(26)16-17(25)20(27)23-18(22-16)13-5-3-2-4-6-13/h2-8,11,24-25H,9-10H2,1H3,(H,21,26)(H,22,23,27)

InChIKey:

SMGLFQZBAVAYPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC1=C(N=C(NC1=O)c1ccccc1)C(=O)NCCc1ccc(O)c(OC)c1
CACTVS 3.385	COc1cc(CCNC(=O)C2=C(O)C(=O)NC(=N2)c3ccccc3)ccc1O
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O

Name:

5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide

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).