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BioLiP

PDB CCD ID: 8R1
Number of entries in BioLiP: 3
Chemical formula: C4 H10 N2 O
InChI: InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1
InChIKey: HNNJFUDLLWOVKZ-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@H](C(=O)N)N
OpenEye OEToolkits 2.0.7CCC(C(=O)N)N
CACTVS 3.385CC[CH](N)C(N)=O
CACTVS 3.385CC[C@@H](N)C(N)=O
Name:(R)-2-Aminobutanamide;
(2R)-2-azanylbutanamide
ZINC: ZINC000071621754
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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