BioLiP

PDB

BioLiP

PDB CCD ID:

RVJ

Number of entries in BioLiP:

Chemical formula:

C3 H10 N4 O2

InChI:

InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1

InChIKey:

CPNWKFOHPKABKD-REOHCLBHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(CNNN)C(=O)O
OpenEye OEToolkits 2.0.7	C(C(C(=O)O)N)NNN
CACTVS 3.385	NNNC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7	C([C@@H](C(=O)O)N)NNN
CACTVS 3.385	NNNC[CH](N)C(O)=O

Name:

3-triazan-1-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).