BioLiP

PDB

BioLiP

PDB CCD ID:

XK7

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O

InChI:

InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7)

InChIKey:

JFGXRDGYMLGBBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(=O)C1(CC1)N
CACTVS 3.385	NC(=O)C1(N)CC1
OpenEye OEToolkits 2.0.7	C1CC1(C(=O)N)N

Name:

1-aminocyclopropane-1-carboxamide

ZINC:

ZINC000039118034

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).