BioLiP

PDB

BioLiP

PDB CCD ID:

5LB

Number of entries in BioLiP:

Chemical formula:

C7 H13 N5 O2

InChI:

InChI=1S/C7H13N5O2/c8-1-2-12-4-5(10-11-12)3-6(9)7(13)14/h4,6H,1-3,8-9H2,(H,13,14)/t6-/m0/s1

InChIKey:

CDWRPPPJESVLJS-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1c(nnn1CCN)CC(C(=O)O)N
OpenEye OEToolkits 2.0.4	c1c(nnn1CCN)C[C@@H](C(=O)O)N
CACTVS 3.385	NCCn1cc(C[CH](N)C(O)=O)nn1
CACTVS 3.385	NCCn1cc(C[C@H](N)C(O)=O)nn1

Name:

(2~{S})-2-azanyl-3-[1-(2-azanylethyl)-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).