Reaction Details |
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Target | HIV WT-A pol protein (wild-type clade A) |
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Ligand | BDBM104103 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Drug Susceptibility Assay |
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EC50 | 48.6±0.0 nM |
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Citation | Shen, Y; Altman, MD; Ali, A; Nalam, MN; Cao, H; Rana, TM; Schiffer, CA; Tidor, B Testing the substrate-envelope hypothesis with designed pairs of compounds. ACS Chem Biol8:2433-41 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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HIV WT-A pol protein (wild-type clade A) |
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Name: | HIV WT-A pol protein (wild-type clade A) |
Synonyms: | Gag-Pol polyprotein [489-892,I502V,E524D,M525I,R530K,H558K,L578M,K599T,V609I,V623T,T627K,Q690K,C750S,T753I,K761S,D765E,V767I,T788A,I790V,Q795A,V833Q,E836D,A860P,R865K,K869R,T874A,E879D] | POL_HV1N5 | WT-A | gag-pol |
Type: | Protein |
Mol. Mass.: | 45854.50 |
Organism: | Human immunodeficiency virus |
Description: | P12497[489-892,I502V,E524D,M525I,R530K,H558K,L578M,K599T,V609I,V623T,T627K,Q690K,C750S,T753I,K761S,D765E,V767I,T788A,I790V,Q795A,V833Q,E836D,A860P,R865K,K869R,T874A,E879D] |
Residue: | 404 |
Sequence: | PQITLWQRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNFPISPIETVPVTLKPGMDGPKI
KQWPLTEEKIKALTEICKEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELN
KRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPG
IRYQYNVLPQGWKGSPAIFQSSMIKILEPFRSQNPEIIIYQYMDDLYVGSDLEIGQHRAK
VEELRAHLLKWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIQLPDKDSWTVNDIQKLV
GKLNWASQIYPGIKVKQLCRLLRGAKALTDIVPLTEEAELELAE
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BDBM104103 |
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n/a |
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Name | BDBM104103 |
Synonyms: | N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(cyclohexylmethyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-72) |
Type | Small organic molecule |
Emp. Form. | C31H35N3O5S2 |
Mol. Mass. | 593.757 |
SMILES | O[C@H](CN(CC1CCCCC1)S(=O)(=O)c1ccc2ncsc2c1)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r| |
Structure |
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