SEQ2FUN

BioLiP

PDB CCD ID: WL6
Number of entries in BioLiP: 1
Chemical formula: C12 H11 Cl N2 O3
InChI: InChI=1S/C12H11ClN2O3/c13-9-6-4-8(5-7-9)12-14-10(18-15-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17)
InChIKey: ROMPPAWVATWIKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2nc(on2)CCCC(=O)O)Cl
ACDLabs 12.01O=C(O)CCCc1nc(no1)c1ccc(Cl)cc1
CACTVS 3.385OC(=O)CCCc1onc(n1)c2ccc(Cl)cc2
Name:4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
ChEMBL: CHEMBL1466222
ZINC: ZINC000000144515
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).