SEQ2FUN

BioLiP

PDB CCD ID: 3MQ
Number of entries in BioLiP: 40
Chemical formula: C8 H7 N O2 S
InChI: InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2
InChIKey: HUAGDHXVPCSWLD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OCc1cc(on1)c2sccc2
OpenEye OEToolkits 1.7.0c1cc(sc1)c2cc(no2)CO
ACDLabs 12.01n2oc(c1sccc1)cc2CO
Name:(5-thiophen-2-ylisoxazol-3-yl)methanol
ChEMBL: CHEMBL1230155
ZINC: ZINC000002506138
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).