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BioLiP Library

PDB CCD ID: B3Q
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O3
InChI: InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1
InChIKey: IDNSGZOFDGAHTI-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(N)CCC(N)CC(=O)O
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(CC(=O)O)N
CACTVS 3.341N[CH](CCC(N)=O)CC(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](CC(=O)O)N
Name:(3S)-3,6-diamino-6-oxohexanoic acid;
(S)-beta-3-homoglutamine
ChEMBL: CHEMBL332030
ZINC: ZINC000002386813
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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