SEQ2FUN

BioLiP

PDB CCD ID: 3BB
Number of entries in BioLiP: 9
Chemical formula: C4 H7 Br O
InChI: InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2
InChIKey: RTKMFQOHBDVEBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(CCO)Br
CACTVS 3.341OCCC(Br)=C
ACDLabs 10.04Br/C(=C)CCO
Name:3-BROMOBUT-3-EN-1-OL;
3-BROMO-3-BUTEN-1-OL
DrugBank: DB04592
ZINC: ZINC000002530726
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).