SEQ2FUN

BioLiP

PDB CCD ID: DJ6
Number of entries in BioLiP: 1
Chemical formula: C10 H6 Cl2 N2 O S
InChI: InChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKey: XUXVQIKOGRNZPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1sc(Cl)c(c1)C(=O)Nc2cccnc2
ACDLabs 12.01c2cc(NC(=O)c1cc(sc1Cl)Cl)cnc2
OpenEye OEToolkits 1.7.6c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl
Name:2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide
ZINC: ZINC000003120056
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).