BioLiP

PDB

BioLiP

PDB CCD ID:

TBJ

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O2

InChI:

InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m1/s1

InChIKey:

GZCFMEFTVSKHDE-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(NC[C@H]1CCCO1)NC2CCCC2
OpenEye OEToolkits 2.0.7	C1CCC(C1)NC(=O)NCC2CCCO2
OpenEye OEToolkits 2.0.7	C1CCC(C1)NC(=O)NC[C@H]2CCCO2
CACTVS 3.385	O=C(NC[CH]1CCCO1)NC2CCCC2
ACDLabs 12.01	C2C(NC(NCC1CCCO1)=O)CCC2

Name:

N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea

ZINC:

ZINC000030984716

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).