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BioLiP

PDB CCD ID: ZDJ
Number of entries in BioLiP: 0
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:
SoftwareSMILES
ACDLabs 12.01Cc1cc(CC(N)C(=O)O)ccc1O
OpenEye OEToolkits 2.0.7Cc1cc(ccc1O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7Cc1cc(ccc1O)C[C@@H](C(=O)O)N
CACTVS 3.385Cc1cc(C[CH](N)C(O)=O)ccc1O
CACTVS 3.385Cc1cc(C[C@H](N)C(O)=O)ccc1O
Name:3-methyl-L-tyrosine
ChEMBL: CHEMBL3808433
ZINC: ZINC000001713866
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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