SEQ2FUN

BioLiP

PDB CCD ID: VDI
Number of entries in BioLiP: 1
Chemical formula: C11 H11 Cl O2
InChI: InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
InChIKey: XYSRHOKREWGGFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(=O)C1(CCC1)c1ccc(Cl)cc1
CACTVS 3.385OC(=O)C1(CCC1)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1C2(CCC2)C(=O)O)Cl
Name:1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
ChEMBL: CHEMBL1343297
ZINC: ZINC000000394844
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).