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BioLiP Library

PDB CCD ID: 9XZ
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N6 S
InChI: InChI=1S/C11H10N6S/c1-17-15-11(14-16-17)9-4-8(5-13-10(9)12)7-2-3-18-6-7/h2-6H,1H3,(H2,12,13)
InChIKey: SYTWVNLAKXLKOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cn1nc(nn1)c2cc(cnc2N)c3ccsc3
CACTVS 3.385Cn1nnc(n1)c2cc(cnc2N)c3cscc3
Name:3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine
ChEMBL: CHEMBL4588560
ZINC: ZINC000230472775
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)(download the PDF file).
  • 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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