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BioLiP

PDB CCD ID: HQT
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N O S
InChI: InChI=1S/C9H7NOS/c11-10-6-5-7-3-1-2-4-8(7)9(10)12/h1-6,11H
InChIKey: RTPXYUZLLYULJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C=CN(C2=S)O
CACTVS 3.385ON1C=Cc2ccccc2C1=S
ACDLabs 12.01S=C1c2ccccc2C=CN1O
Name:2-hydroxyisoquinoline-1(2H)-thione
ChEMBL: CHEMBL3326438
ZINC: ZINC000221804656
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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