BioLiP

PDB

BioLiP

PDB CCD ID:

CHF

Number of entries in BioLiP:

Chemical formula:

C11 H19 F2 N O4

InChI:

InChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1

InChIKey:

SCJAAMPUNGXRHK-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N
CACTVS 3.341	N[CH](CC1CCCCC1)C(O)(O)C(F)(F)C(O)=O
ACDLabs 10.04	O=C(O)C(F)(F)C(O)(O)C(N)CC1CCCCC1
CACTVS 3.341	N[C@@H](CC1CCCCC1)C(O)(O)C(F)(F)C(O)=O
OpenEye OEToolkits 1.5.0	C1CCC(CC1)CC(C(C(C(=O)O)(F)F)(O)O)N

Name:

CYCLOHEXYLFLUOROSTATONE

ZINC:

ZINC000006760945

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).