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BioLiP

PDB CCD ID: IPZ
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N2 O
InChI: InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
InChIKey: NTOPKICPEQUPPH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1nccnc1C(C)C
ACDLabs 10.04O(c1nccnc1C(C)C)C
OpenEye OEToolkits 1.5.0CC(C)c1c(nccn1)OC
Name:2-ISOPROPYL-3-METHOXYPYRAZINE;
2-METHOXY-3-ISOPROPYLPYRAZINE
ChEMBL: CHEMBL96852
DrugBank: DB01760
ZINC: ZINC000000156526
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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