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BioLiP

PDB CCD ID: A6W
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O2 S2
InChI: InChI=1S/C10H9NO2S2/c1-13-10(12)9-6(11)5-8(15-9)7-3-2-4-14-7/h2-5H,11H2,1H3
InChIKey: CFHYAXQWEYGRTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)c1sc(cc1N)c2sccc2
OpenEye OEToolkits 2.0.6COC(=O)c1c(cc(s1)c2cccs2)N
Name:methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate
ChEMBL: CHEMBL1508842
ZINC: ZINC000000116168
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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