BioLiP

PDB

BioLiP

PDB CCD ID:

OGC

Number of entries in BioLiP:

Chemical formula:

C7 H11 N3 O3

InChI:

InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1

InChIKey:

JEWWRPRBMRIIAC-PHDIDXHHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cn1cncc1[C@H]([C@H](C(=O)O)N)O
CACTVS 3.385	Cn1cncc1[C@@H](O)[C@@H](N)C(O)=O
CACTVS 3.385	Cn1cncc1[CH](O)[CH](N)C(O)=O
OpenEye OEToolkits 3.1.0.0	Cn1cncc1C(C(C(=O)O)N)O

Name:

gamma-N-methyl-beta-OH-histidine;
(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid;
3-(1H-imidazol-3-ium-4-yl)-L-alanine

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).