BioLiP

PDB

BioLiP

PDB CCD ID:

9G2

Number of entries in BioLiP:

Chemical formula:

C9 H16 N4 O2

InChI:

InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1

InChIKey:

TVRCAVYCEUWWJW-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCc1cn(nn1)CCCC(C(=O)O)N
CACTVS 3.385	CCc1cn(CCC[CH](N)C(O)=O)nn1
OpenEye OEToolkits 2.0.6	CCc1cn(nn1)CCC[C@@H](C(=O)O)N
CACTVS 3.385	CCc1cn(CCC[C@H](N)C(O)=O)nn1

Name:

(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic 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).