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BioLiP

PDB CCD ID: BFA
Number of entries in BioLiP: 0
Chemical formula: C17 H17 Br N4 O
InChI: InChI=1S/C17H17BrN4O/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,19,23)
InChIKey: QCANCQNKYBFYAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br
ACDLabs 10.04O=C(NCCN(C)C)c2c1nc3c(nc1ccc2)cccc3Br
CACTVS 3.341CN(C)CCNC(=O)c1cccc2nc3cccc(Br)c3nc12
Name:9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE
ZINC: ZINC000003871308
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).
  • 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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