Structure of PDB 7p0p Chain D Binding Site BS02

Receptor Information
>7p0p Chain D (length=66) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDSLINLKIQKENPKVVNEINIEDLSLTKAAYCRCWRSKTFPACDGSHNK
HNELTGDNVGPLILKK
Ligand information
Ligand ID49I
InChIInChI=1S/C22H19NO3S/c24-20(15-7-2-1-3-8-15)23-21-19(22(25)26)18(13-27-21)17-11-10-14-6-4-5-9-16(14)12-17/h1-9,13,17H,10-12H2,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyITAWNUSVGMPVHR-QGZVFWFLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1c(NC(=O)c2ccccc2)scc1[C@@H]3CCc4ccccc4C3
CACTVS 3.385OC(=O)c1c(NC(=O)c2ccccc2)scc1[CH]3CCc4ccccc4C3
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)Nc2c(c(cs2)[C@@H]3CCc4ccccc4C3)C(=O)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)Nc2c(c(cs2)C3CCc4ccccc4C3)C(=O)O
FormulaC22 H19 N O3 S
Name2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain7p0p Chain D Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p0p An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		P80 K81
Binding residue
(residue number reindexed from 1)		P14 K15
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0010506 regulation of autophagy
Cellular Component
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p0p, PDBe:7p0p, PDBj:7p0p
PDBsum7p0p
PubMed35538231
UniProtQ8N5K1|CISD2_HUMAN CDGSH iron-sulfur domain-containing protein 2 (Gene Name=CISD2)

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