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BioLiP

PDB CCD ID: ECU
Number of entries in BioLiP: 1
Chemical formula: C12 H9 Br N4 O
InChI: InChI=1S/C12H9BrN4O/c13-8-2-1-7-9(17-4-3-15-6-17)5-10(14)16-11(7)12(8)18/h1-6,18H,(H2,14,16)
InChIKey: WABMJAQUYDUNTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br
CACTVS 3.385Nc1cc(n2ccnc2)c3ccc(Br)c(O)c3n1
Name:2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
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)(download the PDF file).
  • 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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