BioLiP

PDB

BioLiP

PDB CCD ID:

HIX

Number of entries in BioLiP:

Chemical formula:

C5 H8 N4 O2

InChI:

InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1

InChIKey:

YCHNJQXUYMPHNB-BYPYZUCNSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(C(O)=O)Cc1nnnc1
OpenEye OEToolkits 1.7.6	c1c([nH]nn1)CC(C(=O)O)N
CACTVS 3.385	N[C@@H](Cc1[nH]nnc1)C(O)=O
OpenEye OEToolkits 1.7.6	c1c([nH]nn1)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](Cc1[nH]nnc1)C(O)=O

Name:

3-(1H-1,2,3-triazol-5-yl)-L-alanine

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).