zinc protoporphyrin IX   Click here for help

GtoPdb Ligand ID: 8903

Abbreviated name: ZnPP
Synonyms: protoporphyrin IX containing Zn
Compound class: Synthetic organic
Comment: ZnPP is reported as an antagonist of the estrogen receptor β [1]. The PubChem identifier for protoporphyrin IX is CID 4971. This is a very similar structure to iron bound heme, but with the ferrous ion replaced by a zinc ion.
2D Structure
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Canonical SMILES C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Zn+2]
Isomeric SMILES C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Zn+2]
InChI InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Rev-Erb-β Hs Antagonist Antagonist - - - 1
Description: Increases transcription by inhibiting corepressor recruitment to REV-ERB in vitro.