BioLiP

PDB

BioLiP

PDB CCD ID:

LYK

Number of entries in BioLiP:

Chemical formula:

C6 H16 N2 O2

InChI:

InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1

InChIKey:

KAIAEVMOENBGKZ-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(CCN)CC(C(O)O)N
CACTVS 3.370	NCCCC[CH](N)C(O)O
CACTVS 3.370	NCCCC[C@H](N)C(O)O
OpenEye OEToolkits 1.7.0	C(CCN)C[C@@H](C(O)O)N
ACDLabs 12.01	OC(O)C(N)CCCCN

Name:

(2S)-2,6-diaminohexane-1,1-diol

ZINC:

ZINC000064746703

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).