BioLiP

PDB

BioLiP

PDB CCD ID:

5LE

Number of entries in BioLiP:

Chemical formula:

C8 H15 N5 O2

InChI:

InChI=1S/C8H15N5O2/c9-2-1-3-13-5-6(11-12-13)4-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1

InChIKey:

KITLWZLAKBJSKP-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCCn1cc(C[C@H](N)C(O)=O)nn1
OpenEye OEToolkits 2.0.4	c1c(nnn1CCCN)C[C@@H](C(=O)O)N
CACTVS 3.385	NCCCn1cc(C[CH](N)C(O)=O)nn1
OpenEye OEToolkits 2.0.4	c1c(nnn1CCCN)CC(C(=O)O)N

Name:

(2~{S})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic 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).