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BioLiP

PDB CCD ID: 56V
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2 O S
InChI: InChI=1S/C9H8N2OS/c12-8-5-13-9-10-6-3-1-2-4-7(6)11(8)9/h1-4,8,12H,5H2/t8-/m1/s1
InChIKey: NRTXRMKJTFAUEX-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1CSc2nc3ccccc3n12
OpenEye OEToolkits 1.9.2c1ccc2c(c1)nc3n2C(CS3)O
ACDLabs 12.01c2c1nc3SCC(n3c1ccc2)O
OpenEye OEToolkits 1.9.2c1ccc2c(c1)nc3n2[C@@H](CS3)O
CACTVS 3.385O[CH]1CSc2nc3ccccc3n12
Name:(3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
ZINC: ZINC000000283537
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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