BioLiP

PDB

BioLiP

PDB CCD ID:

A1BXB

Number of entries in BioLiP:

Chemical formula:

C18 H18 N4 O3 S2

InChI:

InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)

InChIKey:

IVZKZONQVYTCKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C(=O)Cc1ccc(cc1)c2ccccn2)c3sc(c(C)n3)[S](N)(=O)=O
ACDLabs 14.52	Cc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)c1ccccn1
OpenEye OEToolkits 3.1.0.0	Cc1c(sc(n1)N(C)C(=O)Cc2ccc(cc2)c3ccccn3)S(=O)(=O)N

Name:

Pritelivir;
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide

ChEMBL:

CHEMBL4069597

DrugBank:

DB11844

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).