BioLiP

PDB

BioLiP

PDB CCD ID:

MMS

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=CN(C=C(C1=O)O)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0	C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](CN1C=CC(=O)C(=C1)O)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CN1C=CC(=O)C(O)=C1
CACTVS 3.341	N[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, Lydia 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).