BioLiP

PDB

BioLiP

PDB CCD ID:

BYR

Number of entries in BioLiP:

Chemical formula:

C9 H10 Br N O3

InChI:

InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1

InChIKey:

HGWOSUKIFQMEIF-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O
CACTVS 3.385	N[CH](Cc1ccc(O)c(Br)c1)C(O)=O
CACTVS 3.385	N[C@@H](Cc1ccc(O)c(Br)c1)C(O)=O
ACDLabs 12.01	Brc1cc(ccc1O)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6	c1cc(c(cc1CC(C(=O)O)N)Br)O

Name:

3-bromo-L-tyrosine

ChEMBL:

CHEMBL3808609

ZINC:

ZINC000006091875

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).