BioLiP

PDB

BioLiP

PDB CCD ID:

AGP

Number of entries in BioLiP:

Chemical formula:

C6 H16 N O8 P

InChI:

InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1

InChIKey:

LBNVXZROMBUNNQ-SLPGGIOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O
CACTVS 3.341	N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0	C(C(C(C(C(COP(=O)(O)O)O)O)O)N)O
CACTVS 3.341	N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)OCC(O)C(O)C(O)C(N)CO

Name:

2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE

ChEMBL:

CHEMBL396380

DrugBank:

DB02445

ZINC:

ZINC000003870803

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).