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BioLiP Library

PDB CCD ID: D87
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N2 O
InChI: InChI=1S/C15H16N2O/c1-2-3-6-10-9-12-11-7-4-5-8-13(11)17-15(16)14(12)18-10/h4-5,7-9H,2-3,6H2,1H3,(H2,16,17)
InChIKey: TVEPYAGOSGVFCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCc1oc2c(N)nc3ccccc3c2c1
OpenEye OEToolkits 1.7.6CCCCc1cc2c3ccccc3nc(c2o1)N
ACDLabs 12.01n3c1ccccc1c2c(oc(c2)CCCC)c3N
Name:2-butylfuro[2,3-c]quinolin-4-amine
ChEMBL: CHEMBL2419475
ZINC: ZINC000096283071
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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