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BioLiP

PDB CCD ID: ESP
Number of entries in BioLiP: 3
Chemical formula: C8 H8 N3 S
InChI: InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
InChIKey: GZEJMYFXZMUAEC-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=[NH2+])c1sc2ncccc2c1
ACDLabs 10.04n1cccc2c1sc(c2)\C(=[NH2+])N
OpenEye OEToolkits 1.5.0c1cc2cc(sc2nc1)C(=[NH2+])N
Name:THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE
DrugBank: DB03876
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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