BioLiP

PDB

BioLiP

PDB CCD ID:

GE2

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O

InChI:

InChI=1S/C6H14N2O/c7-4-1-5(8)3-6(9)2-4/h4-6,9H,1-3,7-8H2/t4-,5+,6-

InChIKey:

ORKQZIAHTZABIG-FPFOFBBKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@H](CC(C[C@H]1N)O)N
ACDLabs 10.04	OC1CC(N)CC(N)C1
OpenEye OEToolkits 1.5.0	C1C(CC(CC1N)O)N
CACTVS 3.341	N[C@@H]1C[C@H](N)C[C@H](O)C1
CACTVS 3.341	N[CH]1C[CH](N)C[CH](O)C1

Name:

3,5-DIAMINO-CYCLOHEXANOL

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).