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BioLiP

PDB CCD ID: 40C
Number of entries in BioLiP: 0
Chemical formula: C11 H17 N5 O4
InChI: InChI=1S/C11H17N5O4/c1-7(12)4-16(6-10(18)19)9(17)5-15-3-2-8(13)14-11(15)20/h2-3,7H,4-6,12H2,1H3,(H,18,19)(H2,13,14,20)/t7-/m0/s1
InChIKey: GYEXNWOPJJKBBV-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(N(CC(=O)O)CC(N)C)CN1C=CC(=NC1=O)N
OpenEye OEToolkits 1.7.0CC(CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N
CACTVS 3.370C[CH](N)CN(CC(O)=O)C(=O)CN1C=CC(=NC1=O)N
CACTVS 3.370C[C@H](N)CN(CC(O)=O)C(=O)CN1C=CC(=NC1=O)N
OpenEye OEToolkits 1.7.0C[C@@H](CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N
Name:N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
ZINC: ZINC000058631659
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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