BioLiP

PDB

BioLiP

PDB CCD ID:

DZX

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O3

InChI:

InChI=1S/C8H15NO3/c10-3-4-5-1-2-6(9-5)8(12)7(4)11/h4-12H,1-3H2/t4-,5+,6-,7-,8+/m0/s1

InChIKey:

GQKYZJDPLYFSSX-GWVFRZDISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CC2C(C(C(C1N2)CO)O)O
CACTVS 3.385	OC[C@@H]1[C@H](O)[C@H](O)[C@@H]2CC[C@H]1N2
OpenEye OEToolkits 1.7.6	C1C[C@H]2[C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O
CACTVS 3.385	OC[CH]1[CH](O)[CH](O)[CH]2CC[CH]1N2

Name:

DEOXY-GALACTO-NOEUROSTEGINE

ChEMBL:

CHEMBL4741914

ZINC:

ZINC000230506242

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).