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BioLiP

PDB CCD ID: PYT
Number of entries in BioLiP: 0
Chemical formula: C3 H6 N2 O
InChI: InChI=1S/C3H6N2O/c1-2(4)3(5)6/h1,4H2,(H2,5,6)
InChIKey: IUMRWGYGZHKZKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=C)C(N)=O
ACDLabs 10.04O=C(C(=C)\N)N
OpenEye OEToolkits 1.5.0C=C(C(=O)N)N
Name:2-AMINOPROP-2-ENAMIDE
DrugBank: DB02002
ZINC: ZINC000100031476
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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