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BioLiP

PDB CCD ID: 8Q5
Number of entries in BioLiP: 1
Chemical formula: C20 H23 N5 O
InChI: InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)
InChIKey: QTOFVYOMOKYCEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4
CACTVS 3.385CC(C)CNc1nccn2c(cnc12)c3ccc(cc3)C(=O)NC4CC4
Name:~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
ChEMBL: CHEMBL3410060
ZINC: ZINC000205323522
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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