BioLiP

PDB

BioLiP

PDB CCD ID:

8AV

Number of entries in BioLiP:

Chemical formula:

C8 H18 N2

InChI:

InChI=1S/C8H18N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,9-10H2/t8-/m1/s1

InChIKey:

ZGITYUSQHMGSRF-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC[CH](N)C1CCCCC1
ACDLabs 12.01	NC(C1CCCCC1)CN
OpenEye OEToolkits 2.0.6	C1CCC(CC1)C(CN)N
OpenEye OEToolkits 2.0.6	C1CCC(CC1)[C@@H](CN)N
CACTVS 3.385	NC[C@@H](N)C1CCCCC1

Name:

(1S)-1-cyclohexylethane-1,2-diamine

ZINC:

ZINC000035677023

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).