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BioLiP

PDB CCD ID: 66N
Number of entries in BioLiP: 0
Chemical formula: C3 H8 N2 O
InChI: InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1
InChIKey: HQMLIDZJXVVKCW-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC(C(=O)N)N
CACTVS 3.385C[C@H](N)C(N)=O
ACDLabs 12.01O=C(C(N)C)N
CACTVS 3.385C[CH](N)C(N)=O
OpenEye OEToolkits 2.0.4C[C@@H](C(=O)N)N
Name:L-alaninamide
ZINC: ZINC000002046876
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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