BioLiP

PDB

BioLiP

PDB CCD ID:

VBK

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O S

InChI:

InChI=1S/C8H11NOS/c9-5-7-6-2-4-11-8(6)1-3-10-7/h2,4,7H,1,3,5,9H2/t7-/m1/s1

InChIKey:

NMVKUIFBCHQTHO-SSDOTTSWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC[C@H]1OCCc2sccc12
CACTVS 3.385	NC[CH]1OCCc2sccc12
OpenEye OEToolkits 2.0.7	c1csc2c1C(OCC2)CN
OpenEye OEToolkits 2.0.7	c1csc2c1[C@H](OCC2)CN

Name:

[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine;
4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine;
6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethanamine;
12225896

ZINC:

ZINC000012370667

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).