BioLiP

PDB

BioLiP

PDB CCD ID:

02T

Number of entries in BioLiP:

Chemical formula:

C6 H9 N S

InChI:

InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3

InChIKey:

SWZNXCABBUKIPZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.2	Cc1ccsc1CN
ACDLabs 12.01	s1c(c(cc1)C)CN

Name:

1-(3-methylthiophen-2-yl)methanamine

ZINC:

ZINC000000165948

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).