SEQ2FUN

BioLiP

PDB CCD ID: LWG
Number of entries in BioLiP: 1
Chemical formula: C10 H4 Cl2 N2 O S
InChI: InChI=1S/C10H4Cl2N2OS/c11-4-1-2-5(12)8-6(4)7-9(16-8)10(15)14-3-13-7/h1-3H,(H,13,14,15)
InChIKey: DJUSDFVEBBYFFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02Clc2c3sc1c(N=CNC1=O)c3c(Cl)cc2
CACTVS 3.352Clc1ccc(Cl)c2c1sc3C(=O)NC=Nc23
OpenEye OEToolkits 1.7.0c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl
Name:6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
ChEMBL: CHEMBL583144
ZINC: ZINC000044717144
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).