BioLiP

PDB

BioLiP

PDB CCD ID:

ZDJ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3

InChI:

InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1

InChIKey:

MQHLULPKDLJASZ-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1cc(CC(N)C(=O)O)ccc1O
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1O)C[C@@H](C(=O)O)N
CACTVS 3.385	Cc1cc(C[CH](N)C(O)=O)ccc1O
CACTVS 3.385	Cc1cc(C[C@H](N)C(O)=O)ccc1O

Name:

3-methyl-L-tyrosine

ChEMBL:

CHEMBL3808433

ZINC:

ZINC000001713866

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).