BioLiP

PDB

BioLiP

PDB CCD ID:

FAV

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl N O2 S

InChI:

InChI=1S/C19H14ClNO2S/c1-21(15-8-4-3-7-14(15)20)19(22)17-10-12-11-23-16-9-5-2-6-13(16)18(12)24-17/h2-10H,11H2,1H3

InChIKey:

PCSYEOAUKWBYOX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3
ACDLabs 12.01	Clc1ccccc1N(C(=O)c3sc2c4ccccc4OCc2c3)C
CACTVS 3.370	CN(C(=O)c1sc2c(COc3ccccc23)c1)c4ccccc4Cl

Name:

N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

ChEMBL:

CHEMBL1796267

ZINC:

ZINC000005050688

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).