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Structure of PDB 3rf4 Chain B Binding Site BS03

Receptor Information >3rf4 Chain B (length=116) Species: 53326 (Ancylostoma ceylanicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] PMVRVATNLPDKDVPANFEERLTDLLAESMNKPRNRIAIEVLAGQRITHG ASRNPVAVIKVESIGALSADDNIRHTQKITQFCQDTLKLPKDKVIITYFD LQPIHVGFNGTTVAAA

Ligand information Ligand ID FUN InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) InChIKey ZZUFCTLCJUWOSV-UHFFFAOYSA-N SMILES Software SMILES ACDLabs 12.01 O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 OpenEye OEToolkits 1.7.0 c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl CACTVS 3.370 N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl Formula C12 H11 Cl N2 O5 S Name 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID; Furosemide ChEMBL CHEMBL35 DrugBank DB00695 ZINC ZINC000000035804 PDB chain 3rf4 Chain C Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3rf4 Drug Repositioning and Pharmacophore Identification in the Discovery of Hookworm MIF Inhibitors. Resolution 1.8 Å Binding residue (original residue number in PDB) H49 I95 Binding residue (residue number reindexed from 1) H49 I95 Annotation score 1 Binding affinity MOAD: Ki=0.56uM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005125 cytokine activity GO:0005126 cytokine receptor binding GO:0046872 metal ion binding GO:0050178 phenylpyruvate tautomerase activity

	Biological Process
GO:0007165	signal transduction

	Cellular Component
GO:0005615	extracellular space

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