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BioLiP

PDB CCD ID: Z21
Number of entries in BioLiP: 1
Chemical formula: C10 H9 Br N6 O
InChI: InChI=1S/C10H9BrN6O/c1-2-17-6-3-7(11)13-4-5(6)14-10(17)8-9(12)16-18-15-8/h3-4H,2H2,1H3,(H2,12,16)
InChIKey: BDVLCOBTGBLROW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCn1c2cc(Br)ncc2nc1c3nonc3N
OpenEye OEToolkits 1.9.2CCn1c2cc(ncc2nc1c3c(non3)N)Br
ACDLabs 12.01Brc1ncc2nc(n(c2c1)CC)c3nonc3N
Name:4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
ZINC: ZINC000035086791
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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