BioLiP

PDB

BioLiP

PDB CCD ID:

6SV

Number of entries in BioLiP:

Chemical formula:

C12 H22 N2 O2

InChI:

InChI=1S/C12H22N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14,15)/t11-/m1/s1

InChIKey:

RYUZWZOTJULRNS-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	C1CCC(CC1)NC(=O)NC[C@H]2CCCO2
OpenEye OEToolkits 2.0.5	C1CCC(CC1)NC(=O)NCC2CCCO2
CACTVS 3.385	O=C(NC[CH]1CCCO1)NC2CCCCC2
CACTVS 3.385	O=C(NC[C@H]1CCCO1)NC2CCCCC2

Name:

1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea

ZINC:

ZINC000000046867

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).