SEQ2FUN

BioLiP

PDB CCD ID: A1AM1
Number of entries in BioLiP: 5
Chemical formula: C10 H16 N4 O
InChI: InChI=1S/C10H16N4O/c1-2-10(15)11-7-9-13-12-8-5-3-4-6-14(8)9/h2-7H2,1H3,(H,11,15)
InChIKey: IOOTXFHTMOUUHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)NCc1nnc2n1CCCC2
ACDLabs 12.01
CACTVS 3.385		CCC(=O)NCc1nnc2CCCCn12
Name:N-{[(4R)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide
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).