SEQ2FUN

BioLiP

PDB CCD ID: WGT
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O2 S2
InChI: InChI=1S/C11H11NO2S2/c1-2-14-11(13)9-7(6-16-10(9)12)8-4-3-5-15-8/h3-6H,2,12H2,1H3
InChIKey: AKFDBWIUWIWHRK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOC(=O)c1c(csc1N)c2cccs2
CACTVS 3.385CCOC(=O)c1c(N)scc1c2sccc2
ACDLabs 12.01CCOC(=O)c1c(csc1N)c2sccc2
Name:ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate
ChEMBL: CHEMBL1555771
ZINC: ZINC000000117483
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).