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BioLiP

PDB CCD ID: MYN
Number of entries in BioLiP: 1
Chemical formula: C6 H12 N4 O2
InChI: InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1
InChIKey: XHNWDEHKMJLKGG-DMTCNVIQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352N[C@@H]([C@H]1CCNC(=N1)N)C(O)=O
CACTVS 3.352N[CH]([CH]1CCNC(=N1)N)C(O)=O
OpenEye OEToolkits 1.7.0C1CNC(=NC1C(C(=O)O)N)N
OpenEye OEToolkits 1.7.0C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N
Name:(2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
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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