SEQ2FUN

BioLiP

PDB CCD ID: BRC
Number of entries in BioLiP: 1
Chemical formula: C12 H23 Br O2
InChI: InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
InChIKey: YYKBWYBUCFHYPR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04BrCCCCCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0C(CCCCCC(=O)O)CCCCCBr
CACTVS 3.341OC(=O)CCCCCCCCCCCBr
Name:12-BROMODODECANOIC ACID
ChEMBL: CHEMBL1231458
DrugBank: DB02405
ZINC: ZINC000001637721
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).