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BioLiP

PDB CCD ID: ZYQ
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N3 O2 S
InChI: InChI=1S/C9H11N3O2S/c1-5(13)11-9-12-6-3-2-4-10-8(14)7(6)15-9/h2-4H2,1H3,(H,10,14)(H,11,12,13)
InChIKey: OYHOEDBNAJPFKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1NCCCc2nc(sc12)NC(=O)C
OpenEye OEToolkits 1.6.1CC(=O)Nc1nc2c(s1)C(=O)NCCC2
CACTVS 3.352CC(=O)Nc1sc2C(=O)NCCCc2n1
Name:N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE
ChEMBL: CHEMBL562743
DrugBank: DB08776
ZINC: ZINC000008994842
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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