BioLiP

PDB

BioLiP

PDB CCD ID:

AMQ

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c(no1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	Cc1c(c(no1)O)CC(C(=O)O)N
CACTVS 3.341	Cc1onc(O)c1C[CH](N)C(O)=O
CACTVS 3.341	Cc1onc(O)c1C[C@H](N)C(O)=O
ACDLabs 10.04	O=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, 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).