SEQ2FUN

BioLiP

PDB CCD ID: BHL
Number of entries in BioLiP: 9
Chemical formula: C6 H13 Br O
InChI: InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey: FCMCSZXRVWDVAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCCBr)CCO
CACTVS 3.341OCCCCCCBr
ACDLabs 10.04BrCCCCCCO
Name:6-BROMOHEXAN-1-OL;
6-BROMOHEXANOL
ChEMBL: CHEMBL1231334
DrugBank: DB04637
ZINC: ZINC000002242705
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).