BioLiP

PDB

BioLiP

PDB CCD ID:

FB5

Number of entries in BioLiP:

Chemical formula:

C7 H14 B F2 N O4

InChI:

InChI=1S/C7H14BF2NO4/c9-5(10)7(11,6(12)13)3-1-2-4-8(14)15/h5,14-15H,1-4,11H2,(H,12,13)/t7-/m1/s1

InChIKey:

QIYCLWKKKPVZJC-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	B(CCCCC(C(F)F)(C(=O)O)N)(O)O
CACTVS 3.370	N[C](CCCCB(O)O)(C(F)F)C(O)=O
OpenEye OEToolkits 1.7.2	B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O
CACTVS 3.370	N[C@](CCCCB(O)O)(C(F)F)C(O)=O
ACDLabs 12.01	FC(F)C(N)(C(=O)O)CCCCB(O)O

Name:

2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine

ZINC:

ZINC000170145029

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).