BioLiP

PDB

BioLiP

PDB CCD ID:

I8A

Number of entries in BioLiP:

Chemical formula:

C12 H22 N2 O

InChI:

InChI=1S/C12H22N2O/c1-11(2)8-14(12(11,3)4)10(15)13-7-9-5-6-9/h9H,5-8H2,1-4H3,(H,13,15)

InChIKey:

SMWGIHJAGGUFFL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1(CN(C1(C)C)C(=O)NCC2CC2)C
ACDLabs 12.01	CC1(C)N(CC1(C)C)C(=O)NCC1CC1
CACTVS 3.385	CC1(C)CN(C(=O)NCC2CC2)C1(C)C

Name:

N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide

ZINC:

ZINC000170015545

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).