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BioLiP

PDB CCD ID: PRZ
Number of entries in BioLiP: 8
Chemical formula: C9 H14 N2 O
InChI: InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
InChIKey: UXFSPRAGHGMRSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(c1nccnc1CC(C)C)C
OpenEye OEToolkits 1.5.0CC(C)Cc1c(nccn1)OC
CACTVS 3.341COc1nccnc1CC(C)C
Name:2-ISOBUTYL-3-METHOXYPYRAZINE
ChEMBL: CHEMBL97355
DrugBank: DB04512
ZINC: ZINC000000156517
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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