BioLiP

PDB

BioLiP

PDB CCD ID:

5LF

Number of entries in BioLiP:

Chemical formula:

C11 H21 N5 O2

InChI:

InChI=1S/C11H21N5O2/c12-5-3-1-2-4-6-16-8-9(14-15-16)7-10(13)11(17)18/h8,10H,1-7,12-13H2,(H,17,18)/t10-/m0/s1

InChIKey:

KOUNDXGKKSOPJO-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1c(nnn1CCCCCCN)CC(C(=O)O)N
OpenEye OEToolkits 2.0.4	c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N
CACTVS 3.385	NCCCCCCn1cc(C[CH](N)C(O)=O)nn1
CACTVS 3.385	NCCCCCCn1cc(C[C@H](N)C(O)=O)nn1

Name:

(2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid

ZINC:

ZINC000584904804

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).