BioLiP

PDB

BioLiP

PDB CCD ID:

TFW

Number of entries in BioLiP:

Chemical formula:

C11 H9 F3 N2 O2

InChI:

InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1

InChIKey:

HXKYSCPIZTWTQH-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2c(c[nH]c2c(c(c1F)F)F)C[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O
OpenEye OEToolkits 2.0.7	c1c2c(c[nH]c2c(c(c1F)F)F)CC(C(=O)O)N
CACTVS 3.385	N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O

Name:

5,6,7-trifluoro-tryptophan;
(2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid

ZINC:

ZINC000198677908

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).