BioLiP

PDB

BioLiP

PDB CCD ID:

E03

Number of entries in BioLiP:

Chemical formula:

C11 H11 F N2 O2

InChI:

InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1

InChIKey:

YMEXGEAJNZRQEH-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1F)[nH]cc2C[C@H](C(=O)O)N
CACTVS 3.385	N[C@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc2c(cc1F)[nH]cc2CC(C(=O)O)N
CACTVS 3.385	N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O

Name:

6-FLUORO-D-TRYPTOPHAN;
(2R)-2-azanyl-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid

ZINC:

ZINC000000056394

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).