SEQ2FUN

BioLiP

PDB CCD ID: ONR
Number of entries in BioLiP: 1
Chemical formula: C9 H6 Cl N O2
InChI: InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKey: AAJXJLYUWKMQNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(Cl)cc1c2oncc2
OpenEye OEToolkits 1.7.6c1cc(c(cc1Cl)c2ccno2)O
Name:4-chloro-2-isoxazol-5-yl-phenol
ChEMBL: CHEMBL4541308
ZINC: ZINC000100002813
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).