BioLiP

PDB

BioLiP

PDB CCD ID:

GIF

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1

InChIKey:

QPYJXFZUIJOGNX-PBXRRBTRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH]1CNC[CH](O)[CH]1O
CACTVS 3.385	OC[C@H]1CNC[C@@H](O)[C@H]1O
ACDLabs 12.01	OC1C(CO)CNCC1O
OpenEye OEToolkits 1.7.6	C1C(C(C(CN1)O)O)CO
OpenEye OEToolkits 1.7.6	C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO

Name:

D-galacto-isofagomine

ChEMBL:

CHEMBL1818433

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).