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BioLiP

PDB CCD ID: BRT
Number of entries in BioLiP: 2
Chemical formula: C6 H5 Br N2 O
InChI: InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
InChIKey: YOQRXZIMSKLRCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cncc1Br)C(=O)N
CACTVS 3.341NC(=O)c1cncc(Br)c1
ACDLabs 10.04O=C(c1cncc(Br)c1)N
Name:5-BROMONICOTINAMIDE
DrugBank: DB01854
ZINC: ZINC000000071433
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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