BioLiP

PDB

BioLiP

PDB CCD ID:

JZ5

Number of entries in BioLiP:

Chemical formula:

C5 H5 N O S

InChI:

InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4-

InChIKey:

GASLBPLHYRZLLT-XQRVVYSFSA-N

SMILES:

Software	SMILES
CACTVS 3.352	O\N=C/c1sccc1
OpenEye OEToolkits 1.7.0	c1cc(sc1)/C=N\O
CACTVS 3.352	ON=Cc1sccc1
OpenEye OEToolkits 1.7.0	c1cc(sc1)C=NO

Name:

(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine;
(Z)-thiophene-2-carboxaldoxime

ZINC:

ZINC000100035990

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).