Structure of PDB 8swk Chain D Binding Site BS01 |
| >8swk Chain D (length=818) Species: 9606 (Homo sapiens)
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KKDYRKKYRKYVRSRFQCIEDRNARLGESVSLNKRYTRLRLIKESPIKME
LLFDPDDEHSEPVHTVVFQGAAGIGKTILARKMMLDWASGTLYQDRFDYL
FYIHCREVSLVTQRSLGDLIMSCCPDPNPPIHKIVRKPSRILFLMDGFDE
LQGAFDEHIGPLCTDWQKAERGDILLSSLIRKKLLPEASLLITTRPVALE
KLQHLLDHPRHVEILGFSEAKRKEYFFKYFSDEAQARAAFSLIQENEVLF
TMCFIPLVCWIVCTGLKQQMESGKSLAQTSKTTTAVYVFFLSSLLQPLCA
HLWGLCSLAADGIWNQKILFEESDLRNHGLQKADVSAFLRMNLFQKEVDC
EKFYSFIHMTFQEFFAAMYYLLELPSRDVTVLLENYGKFEKGYLIFVVRF
LFGLVNQERTSYLEKKLSCKISQQIRLELLKWIEVKAKAKKLQIQPSQLE
LFYCLYEMQEEDFVQRAMDYFPKIEINLSTRMDHMVSSFCIENCHRVESL
SLGFLHNLTSSFCRGLFSVLSTSQSLTELDLSDNSLGDPGMRVLCETLQH
PGCNIRRLWLGRCGLSHECCFDISLVLSSNQKLVELDLSDNALGDFGIRL
LCVGLKHLLCNLKKLWLVSCCLTSACCQDLASVLSTSHSLTRLYVGENAL
GDSGVAILCEKAKNPQCNLQKLGLVNSGLTSVCCSALSSVLSTNQNLTHL
YLRGNTLGDKGIKLLCEGLLHPDCKLQVLELDNCNLTSHCCWDLSTLLTS
SQSLRKLSLGNNDLGDLGVMMFCEVLKQQSCLLQNLGLSEMYFNYETKSA
LETLQEEKPELTVVFEPS |
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| Ligand ID | 7YN |
| InChI | InChI=1S/C20H22N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h3,5,9-11,24H,4,6-8H2,1-2H3,(H2,21,22,23) |
| InChIKey | WBBMLFLTCGFUSC-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)(O)c1coc(c1)[S](=O)(=O)NC(=O)Nc2c3CCCc3cc4C=CCc24 | | OpenEye OEToolkits 2.0.7 | CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CC=C4)CCC3)O |
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| Formula | C20 H22 N2 O5 S |
| Name | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8swk Chain D Residue 1101
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