SEQ2FUN

BioLiP

PDB CCD ID: A1AKA
Number of entries in BioLiP: 3
Chemical formula: C7 H11 N3
InChI: InChI=1S/C7H11N3/c1-6-4-9-10-3-2-8-5-7(6)10/h4,8H,2-3,5H2,1H3
InChIKey: GHWWEPXDSAHILS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cnn2c1CNCC2
ACDLabs 12.01
CACTVS 3.385		Cc1cnn2CCNCc12
Name:(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).