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BioLiP Library

PDB CCD ID: 6XY
Number of entries in BioLiP: 5
Chemical formula: C17 H19 Br N2 S
InChI: InChI=1S/C17H19BrN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey: MEYGNYCKJKFOTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br
CACTVS 3.385CN(C)CCCN1c2ccccc2Sc3ccc(Br)cc13
Name:bromopromazine
ZINC: ZINC000144038537
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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