BioLiP

PDB

BioLiP

PDB CCD ID:

TOZ

Number of entries in BioLiP:

Chemical formula:

C8 H7 N3 O3 S

InChI:

InChI=1S/C8H7N3O3S/c9-1-6-10-5(3-15-6)7-11-4(2-14-7)8(12)13/h2-3H,1,9H2,(H,12,13)

InChIKey:

PULCVIHVEVCGJR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCc1scc(n1)c2occ(n2)C(O)=O
OpenEye OEToolkits 2.0.6	c1c(nc(o1)c2csc(n2)CN)C(=O)O

Name:

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid

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).