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BioLiP

PDB CCD ID: 0WZ
Number of entries in BioLiP: 0
Chemical formula: C12 H13 N3 O3
InChI: InChI=1S/C12H13N3O3/c13-9(12(17)18)6-8-2-3-11(16)10(7-8)15-5-1-4-14-15/h1-5,7,9,16H,6,13H2,(H,17,18)/t9-/m0/s1
InChIKey: OYFZMNFXVOYLDW-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6c1cnn(c1)c2cc(ccc2O)CC(C(=O)O)N
CACTVS 3.370N[C@@H](Cc1ccc(O)c(c1)n2cccn2)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1ccc(O)c(c1)n2nccc2
CACTVS 3.370N[CH](Cc1ccc(O)c(c1)n2cccn2)C(O)=O
Name:3-(1H-pyrazol-1-yl)-L-tyrosine
ZINC: ZINC000098207884
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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