SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C15 H16 N4 O3 S

InChI:

InChI=1S/C15H16N4O3S/c1-7-13(9(3)20)8(2)17-14(7)10-6-23-11(18-10)5-19-12(21)4-16-15(19)22/h6,17H,4-5H2,1-3H3,(H,16,22)

InChIKey:

XGIZTMPAAINKGM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2
OpenEye OEToolkits 2.0.7	Cc1c(c([nH]c1c2csc(n2)CN3C(=O)CNC3=O)C)C(=O)C

Name:

3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione

ChEMBL:

ZINC:

ZINC000058191615

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).