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BioLiP

PDB CCD ID: 4LL
Number of entries in BioLiP: 5
Chemical formula: C13 H16 N2 O
InChI: InChI=1S/C13H16N2O/c1-2-3-9-14-12-8-7-10-5-4-6-11(16)13(10)15-12/h4-8,16H,2-3,9H2,1H3,(H,14,15)
InChIKey: JEHFWPXGFVJHCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCNc1ccc2cccc(c2n1)O
CACTVS 3.352CCCCNc1ccc2cccc(O)c2n1
Name:2-(butylamino)quinolin-8-ol
ChEMBL: CHEMBL591646
ZINC: ZINC000019093683
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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