BioLiP

PDB

BioLiP

PDB CCD ID:

47L

Number of entries in BioLiP:

Chemical formula:

C12 H21 N O2

InChI:

InChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h10-11H,1-9H2,(H,13,14)/t11-/m1/s1

InChIKey:

VZZZJFZRZIRFPP-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1CCC(CC1)C(=O)NCC2CCCO2
OpenEye OEToolkits 1.9.2	C1CCC(CC1)C(=O)NC[C@H]2CCCO2
CACTVS 3.385	O=C(NC[C@H]1CCCO1)C2CCCCC2
ACDLabs 12.01	O=C(NCC1OCCC1)C2CCCCC2
CACTVS 3.385	O=C(NC[CH]1CCCO1)C2CCCCC2

Name:

N-[(2R)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide

ZINC:

ZINC000000357371

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).