BioLiP

PDB

BioLiP

PDB CCD ID:

L5L

Number of entries in BioLiP:

Chemical formula:

C14 H15 N O S

InChI:

InChI=1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3/t14-/m1/s1

InChIKey:

YZMKEDMYYJQGRD-CQSZACIVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C2c3ccsc3CCN2
CACTVS 3.385	COc1ccc(cc1)[CH]2NCCc3sccc23
ACDLabs 12.01	COc1ccc(cc1)C1NCCc2sccc21
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)[C@@H]2c3ccsc3CCN2
CACTVS 3.385	COc1ccc(cc1)[C@H]2NCCc3sccc23

Name:

(4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

ZINC:

ZINC000000107357

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).