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BioLiP

PDB CCD ID: J6W
Number of entries in BioLiP: 2
Chemical formula: C10 H10 O S
InChI: InChI=1S/C10H10OS/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5,11H,6H2,1H3
InChIKey: NPSSZIBANMLQHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2sc(CO)cc2c1
OpenEye OEToolkits 2.0.6Cc1ccc2c(c1)cc(s2)CO
Name:(5-methyl-1-benzothiophen-2-yl)methanol
ZINC: ZINC000002563904
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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