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BioLiP

PDB CCD ID: Q3S
Number of entries in BioLiP: 0
Chemical formula: C4 H10 N2 O2
InChI: InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m0/s1
InChIKey: SXGMVGOVILIERA-STHAYSLISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(C(=O)O)N)N
CACTVS 3.385C[C@H](N)[C@@H](N)C(O)=O
CACTVS 3.385C[CH](N)[CH](N)C(O)=O
ACDLabs 12.01NC(C(O)=O)C(C)N
OpenEye OEToolkits 2.0.7C[C@@H]([C@H](C(=O)O)N)N
Name:(2R,3S)-2,3-diaminobutanoic acid
ZINC: ZINC000095483611
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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