BioLiP

PDB

BioLiP

PDB CCD ID:

2PV

Number of entries in BioLiP:

Chemical formula:

C10 H9 N3 O S

InChI:

InChI=1S/C10H9N3OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,11H2,(H2,12,13,14)/b8-5+

InChIKey:

QXOIZYPBCJHYLN-VMPITWQZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1
CACTVS 3.385	Nc1ccc(cc1)C=C2SC(=N)NC2=O
CACTVS 3.385	Nc1ccc(cc1)\C=C/2SC(=N)NC/2=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=C2C(=O)NC(=N)S2)N

Name:

(5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one

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).