SEQ2FUN

BioLiP

PDB CCD ID: BDD
Number of entries in BioLiP: 9
Chemical formula: C12 H25 Br O
InChI: InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
InChIKey: ASIDMJNTHJYVQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04BrCCCCCCCCCCCCO
OpenEye OEToolkits 1.5.0C(CCCCCCBr)CCCCCO
CACTVS 3.341OCCCCCCCCCCCCBr
Name:BROMO-DODECANOL
ChEMBL: CHEMBL1231267
DrugBank: DB02619
ZINC: ZINC000002047662
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).