BioLiP

PDB

BioLiP

PDB CCD ID:

YDH

Number of entries in BioLiP:

Chemical formula:

C25 H31 N5 O4

InChI:

InChI=1S/C25H31N5O4/c1-16-20(28-34-27-16)14-26-23(31)18-10-12-29(13-11-18)21-9-5-8-19-22(21)25(33)30(24(19)32)15-17-6-3-2-4-7-17/h5,8-9,17-18H,2-4,6-7,10-15H2,1H3,(H,26,31)

InChIKey:

LIYHDVZZLXQJCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nonc1CNC(=O)C2CCN(CC2)c3cccc4C(=O)N(CC5CCCCC5)C(=O)c34
OpenEye OEToolkits 2.0.7	Cc1c(non1)CNC(=O)C2CCN(CC2)c3cccc4c3C(=O)N(C4=O)CC5CCCCC5
ACDLabs 12.01	O=C(NCc1nonc1C)C1CCN(CC1)c1cccc2C(=O)N(CC3CCCCC3)C(=O)c21

Name:

1-[2-(cyclohexylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-4-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).