Structure of PDB 8olu Chain Y Binding Site BS01

Receptor Information
>8olu Chain Y (length=206) Species: 5689 (Leishmania tarentolae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAETAIAFRCKDYVMVAAAGLNAFYYIKITDAEDKITQLDTHQLVACTGE
NGPRVNFTEYIKCNLALNRMRQHGRHSSCESTANFMRNCLASAIRSREGA
YQVNCLFAGYDTPVSEDDDGVVGPQLFYMDYLGTLQAVPYGCHGYGACFV
TALLDRLWRPDLSQQEGLELMQKCCDEVKRRVIISNSYFFVKAVTKNGVE
VITAVH
Ligand information
Ligand IDVYW
InChIInChI=1S/C22H20N4O3/c27-20-12-11-19(25-26(20)14-15-5-2-1-3-6-15)22(29)24-18-8-4-7-16(13-18)21(28)23-17-9-10-17/h1-8,11-13,17H,9-10,14H2,(H,23,28)(H,24,29)
InChIKeyWTFTYKWBWNYQKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2C(=O)C=CC(=N2)C(=O)Nc3cccc(c3)C(=O)NC4CC4
CACTVS 3.385O=C(NC1CC1)c2cccc(NC(=O)C3=NN(Cc4ccccc4)C(=O)C=C3)c2
FormulaC22 H20 N4 O3
Name~{N}-[3-(cyclopropylcarbamoyl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000014083645
PDB chain8olu Chain Z Residue 4000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8olu Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		F24 I29
Binding residue
(residue number reindexed from 1)		F24 I29
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0010498 proteasomal protein catabolic process
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0000502 proteasome complex
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005839 proteasome core complex
GO:0019774 proteasome core complex, beta-subunit complex

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Biological Process
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Cellular Component
External links
PDB RCSB:8olu, PDBe:8olu, PDBj:8olu
PDBsum8olu
PubMed37506194
UniProtA0A640KTY7

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