BioLiP

PDB

BioLiP

PDB CCD ID:

BN1

Number of entries in BioLiP:

Chemical formula:

C8 H10 N6 O4

InChI:

InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)

InChIKey:

YXLQKZHKWIKJKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C
CACTVS 3.341	Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O
OpenEye OEToolkits 1.5.0	Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N

Name:

(S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID;
2-ME-TET-AMPA

ChEMBL:

CHEMBL94859

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).