BioLiP

PDB

BioLiP

PDB CCD ID:

CFS

Number of entries in BioLiP:

Chemical formula:

C11 H19 F2 N O3

InChI:

InChI=1S/C11H19F2NO3/c12-11(13,10(16)17)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2,(H,16,17)/t8-,9+/m0/s1

InChIKey:

VHRXHECRJSYLDR-DTWKUNHWSA-N

SMILES:

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

Name:

4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-3-HYDROXY-PENTANOIC ACID

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).