BioLiP

PDB

BioLiP

PDB CCD ID:

V5N

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O3

InChI:

InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1

InChIKey:

KQMBIBBJWXGSEI-CRCLSJGQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c([nH]cn1)C(C(C(=O)O)N)O
CACTVS 3.385	N[C@@H]([C@H](O)c1[nH]cnc1)C(O)=O
CACTVS 3.385	N[CH]([CH](O)c1[nH]cnc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O

Name:

(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid

ZINC:

ZINC000013283580

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).