heme   Click here for help

GtoPdb Ligand ID: 4349

Synonyms: ferroheme | haem
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2D Structure
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SMILES / InChI / InChIKey
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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.[Fe+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.[Fe+2]
InChI InChI=1S/C34H34N4O4.Fe/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
InChI Key KABFMIBPWCXCRK-UHFFFAOYSA-L
Natural/Endogenous Targets
Target
Rev-Erb-α
Rev-Erb-β
Cofactor in Enzyme Reactions
Enzyme Reference
Endothelial NOS
Inducible NOS
Neuronal NOS
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Feline leukemia virus subgroup C cellular receptor family, member 2 1
Feline leukemia virus subgroup C cellular receptor family, member 1 4
Proton-coupled folate transporter 3
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Rev-Erb-β Ligand is endogenous in the given species Hs Agonist Agonist 6.4 pKd - 2,5-6
pKd 6.4 (Kd 3.53x10-7 M) [2,5-6]
Rev-Erb-α Ligand is endogenous in the given species Hs Agonist Agonist - - - 5-6
[5-6]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields