BioLiP

PDB

BioLiP

PDB CCD ID:

ADR

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O2

InChI:

InChI=1S/C6H14N2O2/c7-2-6-5(9)1-4(8)3-10-6/h4-6,9H,1-3,7-8H2/t4-,5+,6-/m1/s1

InChIKey:

UMTPKSRXZHIKKB-NGJCXOISSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC[CH]1OC[CH](N)C[CH]1O
OpenEye OEToolkits 1.5.0	C1C(COC(C1O)CN)N
OpenEye OEToolkits 1.5.0	C1[C@H](CO[C@@H]([C@H]1O)CN)N
CACTVS 3.341	NC[C@H]1OC[C@H](N)C[C@@H]1O
ACDLabs 10.04	OC1C(OCC(N)C1)CN

Name:

2,6-DIAMINO-2,3,6-TRIDEOXY-ALPHA-D-RIBO-HEXOPYRANOSYL

ZINC:

ZINC000058633113

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).