BioLiP

PDB

BioLiP

PDB CCD ID:

41F

Number of entries in BioLiP:

Chemical formula:

C17 H17 N5 O S

InChI:

InChI=1S/C17H17N5OS/c23-17(18-13-6-7-16-15(12-13)19-20-24-16)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,18,23)

InChIKey:

FFLVDHOMQBCRBY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Nc1ccc2snnc2c1)N3CCN(CC3)c4ccccc4
ACDLabs 12.01	O=C(N2CCN(c1ccccc1)CC2)Nc3cc4nnsc4cc3
OpenEye OEToolkits 1.9.2	c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4

Name:

N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide

ChEMBL:

CHEMBL1455653

ZINC:

ZINC000000270072

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).