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BioLiP

PDB CCD ID: 0UO
Number of entries in BioLiP: 0
Chemical formula: C12 H14 N2 O3
InChI: InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1
InChIKey: VYXPKRIKQJEAOO-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12
OpenEye OEToolkits 1.7.6COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6COc1cccc2c1c(c[nH]2)CC(C(=O)O)N
CACTVS 3.370COc1cccc2[nH]cc(C[CH](N)C(O)=O)c12
ACDLabs 12.01O=C(O)C(N)Cc2c1c(cccc1OC)nc2
Name:4-methoxy-L-tryptophan
ZINC: ZINC000034409357

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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