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BioLiP

PDB CCD ID: XKD
Number of entries in BioLiP: 1
Chemical formula: C4 H10 N2 O
InChI: InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1
InChIKey: CKQYFZPCICOPMQ-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(=O)NC)N
OpenEye OEToolkits 2.0.7C[C@H](C(=O)NC)N
ACDLabs 12.01CNC(=O)C(C)N
CACTVS 3.385CNC(=O)[CH](C)N
CACTVS 3.385CNC(=O)[C@@H](C)N
Name:N-methyl-D-alaninamide
ZINC: ZINC000019422287
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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