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BioLiP

PDB CCD ID: 2SU
Number of entries in BioLiP: 4
Chemical formula: C12 H13 F N2 O2
InChI: InChI=1S/C12H13FN2O2/c13-7-12(14,11(16)17)5-8-6-15-10-4-2-1-3-9(8)10/h1-4,6,15H,5,7,14H2,(H,16,17)/t12-/m0/s1
InChIKey: BZEQVHKJCVLJMC-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)(CF)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)C[C@](CF)(C(=O)O)N
CACTVS 3.385N[C](CF)(Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.385N[C@](CF)(Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CC(CF)(C(=O)O)N
Name:alpha-(fluoromethyl)-D-tryptophan
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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