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BioLiP

PDB CCD ID: AMQ
Number of entries in BioLiP: 19
Chemical formula: C7 H10 N2 O4
InChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(no1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0Cc1c(c(no1)O)CC(C(=O)O)N
CACTVS 3.341Cc1onc(O)c1C[CH](N)C(O)=O
CACTVS 3.341Cc1onc(O)c1C[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1c(onc1O)C
Name:(S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID;
AMPA
ChEMBL: CHEMBL276815
DrugBank: DB02057
ZINC: ZINC000002047472
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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