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BioLiP

PDB CCD ID: 4GK
Number of entries in BioLiP: 2
Chemical formula: C20 H19 N7
InChI: InChI=1S/C20H19N7/c1-12-11-22-13(2)20-23-17(25-27(12)20)8-9-18-24-19-14-5-4-10-21-15(14)6-7-16(19)26(18)3/h4-7,10-11H,8-9H2,1-3H3
InChIKey: BHYRFKDBQRBVEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C
ACDLabs 12.01Cn3c2ccc1ncccc1c2nc3CCc4nc5n(n4)c(C)cnc5C
CACTVS 3.385Cn1c(CCc2nn3c(C)cnc(C)c3n2)nc4c1ccc5ncccc45
Name:2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline
ZINC: ZINC000141305598
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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