BioLiP

PDB

BioLiP

PDB CCD ID:

A1BVO

Number of entries in BioLiP:

Chemical formula:

C12 H18 N2 O3

InChI:

InChI=1S/C12H18N2O3/c13-12(17)9-3-1-8(2-4-9)7-14-10(15)5-6-11(14)16/h8-9H,1-7H2,(H2,13,17)/t8-,9-

InChIKey:

NILRGZBNWXQVHW-KYZUINATSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)[C@H]1CC[C@@H](CC1)CN2C(=O)CCC2=O
OpenEye OEToolkits 3.1.0.0	C1CC(CCC1CN2C(=O)CCC2=O)C(=O)N
CACTVS 3.385	NC(=O)[CH]1CC[CH](CC1)CN2C(=O)CCC2=O
ACDLabs 14.52	NC(=O)C1CCC(CN2C(=O)CCC2=O)CC1

Name:

(1r,4r)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-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).