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BioLiP Library

PDB CCD ID: BF7
Number of entries in BioLiP: 0
Chemical formula: C9 H10 Br N O2
InChI: InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKey: PEMUHKUIQHFMTH-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(Cc1ccc(cc1)Br)C(=O)O
OpenEye OEToolkits 2.0.7c1cc(ccc1C[C@H](C(=O)O)N)Br
CACTVS 3.385N[CH](Cc1ccc(Br)cc1)C(O)=O
CACTVS 3.385N[C@H](Cc1ccc(Br)cc1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1CC(C(=O)O)N)Br
Name:4-bromo-D-phenylalanine
ZINC: ZINC000000032334
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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