SEQ2FUN

BioLiP

PDB CCD ID: HWC
Number of entries in BioLiP: 2
Chemical formula: C6 H7 Br N2 O
InChI: InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3
InChIKey: KRUDZWOELKQDJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C=C(C=C(C1=O)N)Br
CACTVS 3.385CN1C=C(Br)C=C(N)C1=O
Name:3-azanyl-5-bromanyl-1-methyl-pyridin-2-one
ChEMBL: CHEMBL5284806
ZINC: ZINC000044682116
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).