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BioLiP

PDB CCD ID: OZD
Number of entries in BioLiP: 2
Chemical formula: C9 H12 N4 O4
InChI: InChI=1S/C9H12N4O4/c1-5(15)4-11-6-7(10-2-3-14)12-9(17)13-8(6)16/h4,14H,2-3H2,1H3,(H3,10,12,13,16,17)/b11-4+
InChIKey: HVWXIWYEXZLAAS-NYYWCZLTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO
CACTVS 3.385CC(=O)C=NC1=C(NCCO)NC(=O)NC1=O
ACDLabs 12.01C(CO)NC=1NC(=O)NC(C=1\N=C\C(C)=O)=O
OpenEye OEToolkits 2.0.7CC(=O)C=NC1=C(NC(=O)NC1=O)NCCO
Name:6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
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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