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BioLiP

PDB CCD ID: 22G
Number of entries in BioLiP: 0
Chemical formula: C18 H22 N2 O3
InChI: InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1
InChIKey: MFJJEJUIPHIACN-RDJZCZTQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@H](CN[C@@H](Cc1ccc(O)cc1)C(O)=O)Cc2ccccc2
CACTVS 3.385N[CH](CN[CH](Cc1ccc(O)cc1)C(O)=O)Cc2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC(CNC(Cc2ccc(cc2)O)C(=O)O)N
ACDLabs 12.01O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2
Name:N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
ZINC: ZINC000098208082
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)(download the PDF file).
  • 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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