SEQ2FUN

BioLiP

PDB CCD ID: OK1
Number of entries in BioLiP: 3
Chemical formula: C15 H16 Cl N O5
InChI: InChI=1S/C15H16ClNO5/c16-10-6-11-13(7-12(10)21-8-9-2-1-3-9)22-15(20)17(11)5-4-14(18)19/h6-7,9H,1-5,8H2,(H,18,19)
InChIKey: VZSAISDQEBTHJE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O
CACTVS 3.385OC(=O)CCN1C(=O)Oc2cc(OCC3CCC3)c(Cl)cc12
Name:3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
ChEMBL: CHEMBL3634600
ZINC: ZINC000473158231
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).