BioLiP

PDB

BioLiP

PDB CCD ID:

VTT

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O S

InChI:

InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)

InChIKey:

MVROGAXPQMISQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccsc1C(=O)NN
ACDLabs 12.01	O=C(NN)c1sccc1C

Name:

3-methylthiophene-2-carbohydrazide

ZINC:

ZINC000002576189

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).