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BioLiP Library

PDB CCD ID: CPN
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N5 O4
InChI: InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1
InChIKey: MFPUAOSBORLXTD-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O
ACDLabs 12.01O=C(N(CC(=O)O)CC[NH3+])CN1C=CC(=NC1=O)N
CACTVS 3.370NC1=NC(=O)N(CC(=O)N(CC[NH3+])CC(O)=O)C=C1
Name:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE
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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