BioLiP

PDB

BioLiP

PDB CCD ID:

HJH

Number of entries in BioLiP:

Chemical formula:

C6 H10 N4 O3

InChI:

InChI=1S/C6H10N4O3/c1-10-8-4(5(11)9-10)2-3(7)6(12)13/h3H,2,7H2,1H3,(H,9,11)(H,12,13)/t3-/m0/s1

InChIKey:

INIGHNGDJJNUCU-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cn1nc(c(n1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6	Cn1nc(c(n1)O)CC(C(=O)O)N
CACTVS 3.385	Cn1nc(O)c(C[CH](N)C(O)=O)n1
CACTVS 3.385	Cn1nc(O)c(C[C@H](N)C(O)=O)n1

Name:

(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid

ZINC:

ZINC000653788008

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).