BioLiP

PDB

BioLiP

PDB CCD ID:

FLT

Number of entries in BioLiP:

Chemical formula:

C12 H12 F N O7

InChI:

InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1

InChIKey:

AXIAXCQZCZMCQW-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F
CACTVS 3.341	N[CH](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(C(=O)O)N)OC(C(=O)O)(C(=O)O)F
ACDLabs 10.04	FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O

Name:

FLUOROMALONYL TYROSINE

ChEMBL:

CHEMBL431555

ZINC:

ZINC000008378982

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).