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BioLiP

PDB CCD ID: 3CT
Number of entries in BioLiP: 0
Chemical formula: C9 H10 Cl N O3
InChI: InChI=1S/C9H10ClNO3/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: ACWBBAGYTKWBCD-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1CC(C(=O)O)N)Cl)O
OpenEye OEToolkits 1.7.6c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O
CACTVS 3.385N[CH](Cc1ccc(O)c(Cl)c1)C(O)=O
ACDLabs 12.01Clc1cc(ccc1O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O
Name:3-chloro-L-tyrosine
ChEMBL: CHEMBL3808682
ZINC: ZINC000000402813
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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