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BioLiP Library

PDB CCD ID: BTR
Number of entries in BioLiP: 0
Chemical formula: C11 H11 Br N2 O2
InChI: InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKey: OAORYCZPERQARS-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(O)=O
CACTVS 3.341N[CH](Cc1c[nH]c2cc(Br)ccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2c(cc1Br)[nH]cc2CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc2c1ccc(Br)cc1nc2
OpenEye OEToolkits 1.5.0c1cc2c(cc1Br)[nH]cc2C[C@@H](C(=O)O)N
Name:6-BROMO-TRYPTOPHAN
ZINC: ZINC000002516136
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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