BioLiP

PDB

BioLiP

PDB CCD ID:

2TY

Number of entries in BioLiP:

Chemical formula:

C17 H18 N2 O4

InChI:

InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1

InChIKey:

BSKROLLIUIDPDT-KUJOXMSCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](Cc1cc(N=CCc2ccccc2)c(O)cc1O)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC=Nc2cc(c(cc2O)O)CC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)Cc2cc(\N=C\Cc1ccccc1)c(O)cc2O
CACTVS 3.341	N[CH](Cc1cc(N=CCc2ccccc2)c(O)cc1O)C(O)=O

Name:

2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE

DrugBank:

DB06988

ZINC:

ZINC000053683758

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).