BioLiP

PDB

BioLiP

PDB CCD ID:

DNH

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2

InChI:

InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1

InChIKey:

SSJXIUAHEKJCMH-PHDIDXHHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CCC(C(C1)N)N
ACDLabs 10.04	NC1CCCCC1N
OpenEye OEToolkits 1.5.0	C1CC[C@H]([C@@H](C1)N)N
CACTVS 3.341	N[CH]1CCCC[CH]1N
CACTVS 3.341	N[C@@H]1CCCC[C@H]1N

Name:

1R,2R-DIAMINOCYCLOHEXANE

ZINC:

ZINC000038174297

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).