Structure of PDB 8yge Chain B Binding Site BS03

Receptor Information
>8yge Chain B (length=779) Species: 561445 (African swine fever virus pig/Kenya/KEN-50/1950) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKYTRARNAGGKKAQDCMLLAAEGDSALSLLRAGLTLGKSNPSGPSFDFC
GMISLGGVIMNACKKVTNITTDSGETIMVRNEQLTNNKVLQGIVQVLGLD
FNCHYKTQEERAKLRYGCIVACVDQDLDGCGKILGLLLAYFHLFWPQLIV
HGFVKRLLTPLIRVYEKGNTVPVEFYYEQEFDAWAKKQTSLANHTVKYYK
GLAAHDTHEVKSMFKHFDKMVYTFTLDDSAKELFHIYFGGESELRKRELC
TGVVPLTETQTQSIHSVRRIPCSLHLQVDTKAYKLDAIERQIPNFLDGMT
RARRKILAGGLKCFASNNRERKVFQFGGYVADHMFYHHGDMSLNTSIIKA
AQYYPGSSHLYPVFIGIGSFGSRHLGGKDAGSPRYISVQLASEFIKTMFP
TEDSWLLPYVFEDGQRAEPEYYVPVLPLAIMEYGANPSEGWKYTTWARQL
EDILALVRAYVDKNNPKHELLHYAIDHKITVLPLRPSNYNFKGHLKRFGQ
YYYSYGTYVVSEQRNMITITELPLRVPTVAYIESIKKSSNRMAFIEEIVD
YSSSETIEILVKLKPNSLSRIMEEFKETEEQNSIENFLRLRNCLHSHLNF
VKPKGGIIEFNSYYEILYAWLPYRRDLYQKRLMRERAVLKLRLIMETAIV
RYINESADLNLSHYEDEKEAGRILSEHGFPPLNQSLITSPEFATIEELNQ
KALQGCYTYILSLQARELLIAAKTRRVEKIKKMQARLDKVEQLLQESPFP
GASVWLEEIDAVEKAIIKGRNTQWKFHHH
Ligand information
Ligand IDASW
InChIInChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
InChIKeyXCPGHVQEEXUHNC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(Nc1ccc(c(OC)c1)Nc2c4c(nc3c2cccc3)cccc4)C
CACTVS 3.370COc1cc(N[S](C)(=O)=O)ccc1Nc2c3ccccc3nc4ccccc24
OpenEye OEToolkits 1.7.6COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
FormulaC21 H19 N3 O3 S
NameN-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;
Amsacrine
ChEMBLCHEMBL43
DrugBankDB00276
ZINCZINC000003812923
PDB chain8yge Chain C Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8yge Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R.
Resolution2.76 Å
Binding residue
(original residue number in PDB)		G471 M756
Binding residue
(residue number reindexed from 1)		G56 M341
Annotation score1
External links