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BioLiP

PDB CCD ID: 3VQ
Number of entries in BioLiP: 4
Chemical formula: C10 H8 N2 O S
InChI: InChI=1S/C10H8N2OS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)
InChIKey: BPSZHKPVINNIBN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1sc(cc1)c2ccccn2
OpenEye OEToolkits 1.9.2c1ccnc(c1)c2ccc(s2)C(=O)N
ACDLabs 12.01O=C(c2sc(c1ncccc1)cc2)N
Name:5-(pyridin-2-yl)thiophene-2-carboxamide
ChEMBL: CHEMBL3581506
ZINC: ZINC000000125332
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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