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BioLiP

PDB CCD ID: 6CV
Number of entries in BioLiP: 1
Chemical formula: C9 H10 Br N O2
InChI: InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey: GDMOHOYNMWWBAU-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(cc(c1)Br)CC(C(=O)O)N
CACTVS 3.385N[CH](Cc1cccc(Br)c1)C(O)=O
OpenEye OEToolkits 2.0.4c1cc(cc(c1)Br)C[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](Cc1cccc(Br)c1)C(O)=O
ACDLabs 12.01Brc1cccc(CC(N)C(O)=O)c1
Name:3-bromo-L-phenylalanine
ChEMBL: CHEMBL3809682
ZINC: ZINC000003679860
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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