BioLiP

PDB

BioLiP

PDB CCD ID:

LCT

Number of entries in BioLiP:

Chemical formula:

C10 H8 N4 O3 S

InChI:

InChI=1S/C10H8N4O3S/c1-6(15)11-10-13-12-9(18-10)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)

InChIKey:

KTJUGKNFZGGFIC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]
ACDLabs 12.01	O=C(Nc1nnc(s1)c2ccc([N+]([O-])=O)cc2)C
CACTVS 3.385	CC(=O)Nc1sc(nn1)c2ccc(cc2)[N+]([O-])=O

Name:

N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide

ChEMBL:

CHEMBL2087004

ZINC:

ZINC000006781009

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).