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BioLiP

PDB CCD ID: 9E3
Number of entries in BioLiP: 1
Chemical formula: C13 H10 F N3 O
InChI: InChI=1S/C13H10FN3O/c14-12-7-17(8-16-12)6-9-3-4-11(18)13-10(9)2-1-5-15-13/h1-5,7-8,18H,6H2
InChIKey: XHVDVFNHQJLOBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F
CACTVS 3.385Oc1ccc(Cn2cnc(F)c2)c3cccnc13
Name:5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol
ChEMBL: CHEMBL4469389
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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