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BioLiP

PDB CCD ID: XG1
Number of entries in BioLiP: 4
Chemical formula: C14 H16 N4
InChI: InChI=1S/C14H16N4/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18/h4-7,9H,2-3,8H2,1H3,(H2,15,16)
InChIKey: BRUVQRFMAMBUDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c3c(c1cn(nc1c2N)CCCC)cccc3
OpenEye OEToolkits 1.7.6CCCCn1cc2c3ccccc3nc(c2n1)N
CACTVS 3.385CCCCn1cc2c3ccccc3nc(N)c2n1
Name:2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine
ZINC: ZINC000115621707
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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