BioLiP

PDB

BioLiP

PDB CCD ID:

LQP

Number of entries in BioLiP:

Chemical formula:

C10 H15 F2 N O2

InChI:

InChI=1S/C10H15F2NO2/c11-10(12)15-6-9(14)13-4-7-2-1-3-8(7)5-13/h7-8,10H,1-6H2/t7-,8+

InChIKey:

GFKMUMPBDKROCT-OCAPTIKFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F
CACTVS 3.385	FC(F)OCC(=O)N1C[CH]2CCC[CH]2C1
ACDLabs 12.01	FC(F)OCC(=O)N1CC2CCCC2C1
CACTVS 3.385	FC(F)OCC(=O)N1C[C@H]2CCC[C@H]2C1
OpenEye OEToolkits 2.0.7	C1CC2CN(CC2C1)C(=O)COC(F)F

Name:

2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one

ZINC:

ZINC000336116231

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).