BioLiP

PDB

BioLiP

PDB CCD ID:

K1V

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O2

InChI:

InChI=1S/C8H14N2O2/c1-6(11)10-4-2-3-7(5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)/t7-/m1/s1

InChIKey:

MIFWTSLDLPGOCM-SSDOTTSWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(C1CCCN(C1)C(C)=O)=O
OpenEye OEToolkits 2.0.6	CC(=O)N1CCC[C@H](C1)C(=O)N
CACTVS 3.385	CC(=O)N1CCC[CH](C1)C(N)=O
CACTVS 3.385	CC(=O)N1CCC[C@H](C1)C(N)=O
OpenEye OEToolkits 2.0.6	CC(=O)N1CCCC(C1)C(=O)N

Name:

(3R)-1-acetylpiperidine-3-carboxamide

ZINC:

ZINC000037387353

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).