BioLiP

PDB

BioLiP

PDB CCD ID:

UV9

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O

InChI:

InChI=1S/C9H18N2O/c1-8(2)3-5-9(11,6-4-8)7(10)12/h3-6,11H2,1-2H3,(H2,10,12)

InChIKey:

SCEKEGZXSWOPCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1(CCC(CC1)(C(=O)N)N)C
CACTVS 3.385	CC1(C)CCC(N)(CC1)C(N)=O
ACDLabs 12.01	O=C(N)C1(N)CCC(C)(C)CC1

Name:

1-amino-4,4-dimethylcyclohexane-1-carboxamide

ZINC:

ZINC000070654445

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).