SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C14 H10 N4 O4 S

InChI:

InChI=1S/C14H10N4O4S/c1-8-11(12(17-22-8)9-5-3-2-4-6-9)13(19)16-14-15-7-10(23-14)18(20)21/h2-7H,1H3,(H,15,16,19)

InChIKey:

UYYQKLFHMYQRSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-]
CACTVS 3.385	Cc1onc(c2ccccc2)c1C(=O)Nc3sc(cn3)[N+]([O-])=O

Name:

5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide

ChEMBL:

ZINC:

ZINC000004704365

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).