BioLiP

PDB

BioLiP

PDB CCD ID:

UQY

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O

InChI:

InChI=1S/C7H14N2O/c1-9-7(6(8)10)4-2-3-5-7/h9H,2-5H2,1H3,(H2,8,10)

InChIKey:

OESOTMQEPBMDID-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC1(CCCC1)C(N)=O
OpenEye OEToolkits 2.0.7	CNC1(CCCC1)C(=O)N
ACDLabs 12.01	NC(=O)C1(CCCC1)NC

Name:

1-(methylamino)cyclopentane-1-carboxamide

ZINC:

ZINC000037869782

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).