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BioLiP

PDB CCD ID: SX1
Number of entries in BioLiP: 1
Chemical formula: C7 H6 Br N O2
InChI: InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: CUKXRHLWPSBCTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Brc1cc(C(=O)O)c(N)cc1
OpenEye OEToolkits 1.5.0c1cc(c(cc1Br)C(=O)O)N
CACTVS 3.341Nc1ccc(Br)cc1C(O)=O
Name:2-amino-5-bromobenzoic acid
ChEMBL: CHEMBL1236103
ZINC: ZINC000000152502
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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