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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 5LF
Number of entries in BioLiP: 0
Chemical formula: C11 H21 N5 O2
InChI: InChI=1S/C11H21N5O2/c12-5-3-1-2-4-6-16-8-9(14-15-16)7-10(13)11(17)18/h8,10H,1-7,12-13H2,(H,17,18)/t10-/m0/s1
InChIKey: KOUNDXGKKSOPJO-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1c(nnn1CCCCCCN)CC(C(=O)O)N
OpenEye OEToolkits 2.0.4c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N
CACTVS 3.385NCCCCCCn1cc(C[CH](N)C(O)=O)nn1
CACTVS 3.385NCCCCCCn1cc(C[C@H](N)C(O)=O)nn1
Name:(2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid
ZINC: ZINC000584904804

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)(download the PDF file).
  • 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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