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BioLiP

PDB CCD ID: 977
Number of entries in BioLiP: 1
Chemical formula: C10 H8 Br N3 O
InChI: InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKey: CIUUIPMOFZIWIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1nc(O)c(Br)c(n1)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2c(c(nc(n2)N)O)Br
ACDLabs 10.04Brc2c(O)nc(nc2c1ccccc1)N
Name:2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL
ChEMBL: CHEMBL37387
DrugBank: DB04168
ZINC: ZINC000016051409
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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