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BioLiP

PDB CCD ID: ZYT
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2 O S2
InChI: InChI=1S/C9H10N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-4,12H,5H2,1H3,(H,10,11)
InChIKey: QWYGHJVEZLVLSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CSc1[nH]c(Cc2sccc2)c(O)n1
OpenEye OEToolkits 1.6.1CSc1[nH]c(c(n1)O)Cc2cccs2
ACDLabs 10.04Oc1nc(SC)nc1Cc2sccc2
Name:2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol
DrugBank: DB08779
ZINC: ZINC000100037029
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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