BioLiP

PDB

BioLiP

PDB CCD ID:

ODW

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O4

InChI:

InChI=1S/C8H15NO4/c10-3-4-5-1-2-8(13,9-5)7(12)6(4)11/h4-7,9-13H,1-3H2/t4-,5+,6-,7-,8+/m0/s1

InChIKey:

NLSPHUUFXPUPJJ-GWVFRZDISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC2(C(C(C(C1N2)CO)O)O)O
CACTVS 3.385	OC[CH]1[CH](O)[CH](O)[C]2(O)CC[CH]1N2
CACTVS 3.385	OC[C@@H]1[C@H](O)[C@H](O)[C@]2(O)CC[C@H]1N2
OpenEye OEToolkits 2.0.7	C1C[C@]2([C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O

Name:

(1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol;
galacto-noeurostegine;
GNS

ChEMBL:

CHEMBL4757193

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).