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BioLiP

PDB CCD ID: MMS
Number of entries in BioLiP: 8
Chemical formula: C8 H10 N2 O4
InChI: InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
InChIKey: WZNJWVWKTVETCG-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C=C(C1=O)O)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CN1C=CC(=O)C(=C1)O)C(O)=O
ACDLabs 10.04O=C(O)C(N)CN1C=CC(=O)C(O)=C1
CACTVS 3.341N[C@@H](CN1C=CC(=O)C(=C1)O)C(O)=O
Name:MIMOSINE;
3-HYDROXY-4-OXO-1(4H)-PYRIDINEALANINE
ChEMBL: CHEMBL245416
DrugBank: DB01055
ZINC: ZINC000000902159
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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