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BioLiP Library

PDB CCD ID: 546
Number of entries in BioLiP: 2
Chemical formula: C18 H17 N5 O
InChI: InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
InChIKey: VAYNYSLGOOSRMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C
CACTVS 3.370COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C
ACDLabs 12.01n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C
Name:2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
ChEMBL: CHEMBL1916091
ZINC: ZINC000073169602
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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