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BioLiP Library

PDB CCD ID: 96R
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N4 O
InChI: InChI=1S/C12H10N4O/c13-11-6-9(16-5-4-14-7-16)8-2-1-3-10(17)12(8)15-11/h1-7,17H,(H2,13,15)
InChIKey: KIUKAVSOOCERDK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cc(n2ccnc2)c3cccc(O)c3n1
OpenEye OEToolkits 2.0.6c1cc2c(cc(nc2c(c1)O)N)n3ccnc3
ACDLabs 12.01c1ccc(c3c1c(n2ccnc2)cc(n3)N)O
Name:2-amino-4-(1H-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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