BioLiP

PDB

BioLiP

PDB CCD ID:

A1AMB

Number of entries in BioLiP:

Chemical formula:

C5 H8 N4 O2

InChI:

InChI=1S/C5H8N4O2/c6-4(5(10)11)3-9-2-1-7-8-9/h1-2,4H,3,6H2,(H,10,11)/t4-/m0/s1

InChIKey:

WSEIPIFXCRDQNL-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cn(nn1)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](Cn1ccnn1)C(O)=O
CACTVS 3.385	N[C@@H](Cn1ccnn1)C(O)=O
OpenEye OEToolkits 2.0.7	c1cn(nn1)CC(C(=O)O)N
ACDLabs 12.01	NC(Cn1ccnn1)C(=O)O

Name:

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

ChEMBL:

CHEMBL4464816

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).