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BioLiP

PDB CCD ID: Z73
Number of entries in BioLiP: 5
Chemical formula: C15 H18 N4 O
InChI: InChI=1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3
InChIKey: YNADXFWEXJTQSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1c(nc(OC)cc1)n3c(c2C)c(nc3CCC)C
CACTVS 3.370CCCc1nc(C)c2n1c3nc(OC)ccc3nc2C
OpenEye OEToolkits 1.7.0CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C
Name:2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine
ChEMBL: CHEMBL1086110
ZINC: ZINC000043206679
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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