BioLiP

PDB

BioLiP

PDB CCD ID:

T45

Number of entries in BioLiP:

Chemical formula:

C4 H5 N3 O2

InChI:

InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)

InChIKey:

FZXQUCUWEZQIHL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	COC(=O)c1cn[nH]n1
ACDLabs 10.04	O=C(OC)c1nnnc1

Name:

METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLATE

ZINC:

ZINC000016052238

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).