cobalt protoporphyrin IX   Click here for help

GtoPdb Ligand ID: 8902

Abbreviated name: CoPP
Synonyms: protoporphyrin IX containing Co
Compound class: Synthetic organic
Comment: CoPP 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 cobalt ion.
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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.[Co+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.[Co+2]
InChI InChI=1S/C34H34N4O4.Co/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
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
protoporphyrin IX containing Co
Database Links Click here for help
DrugBank Ligand DB02110
GtoPdb PubChem SID 310264683
PubChem CID 4972
Search Google for chemical match using the InChIKey AQTFKGDWFRRIHR-UHFFFAOYSA-L
Search Google for chemicals with the same backbone AQTFKGDWFRRIHR
SynPHARM 83076 (in complex with Rev-Erb-β)
UniChem Compound Search for chemical match using the InChIKey AQTFKGDWFRRIHR-UHFFFAOYSA-L
UniChem Connectivity Search for chemical match using the InChIKey AQTFKGDWFRRIHR-UHFFFAOYSA-L