BioLiP

PDB

BioLiP

PDB CCD ID:

A1BOJ

Number of entries in BioLiP:

Chemical formula:

C13 H20 N4 O2

InChI:

InChI=1S/C13H20N4O2/c1-8-11(16-9(2)15-8)6-12(18)17-5-3-4-10(7-17)13(14)19/h10H,3-7H2,1-2H3,(H2,14,19)(H,15,16)/t10-/m0/s1

InChIKey:

WUDFFWUBHSFYAN-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[nH]c(CC(=O)N2CCC[C@@H](C2)C(N)=O)c(C)n1
CACTVS 3.385	Cc1[nH]c(CC(=O)N2CCC[CH](C2)C(N)=O)c(C)n1
ACDLabs 14.52	O=C(Cc1[NH]c(C)nc1C)N1CCCC(C1)C(N)=O
OpenEye OEToolkits 3.1.0.0	Cc1c([nH]c(n1)C)CC(=O)N2CCCC(C2)C(=O)N
OpenEye OEToolkits 3.1.0.0	Cc1c([nH]c(n1)C)CC(=O)N2CCC[C@@H](C2)C(=O)N

Name:

(3S)-1-[(2,4-dimethyl-1H-imidazol-5-yl)acetyl]piperidine-3-carboxamide

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).