BioLiP

PDB

BioLiP

PDB CCD ID:

JLY

Number of entries in BioLiP:

Chemical formula:

C14 H13 N O S

InChI:

InChI=1S/C14H13NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9H,6,8H2,1H3

InChIKey:

BYZQPJHAZYJXRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccc(cc1)C2=NCCc3c2ccs3
ACDLabs 12.01	c23c(C(c1ccc(OC)cc1)=NCC2)ccs3
CACTVS 3.385	COc1ccc(cc1)C2=NCCc3sccc23

Name:

4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine

ZINC:

ZINC000000107350

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).