Reaction Details |
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Target | HIV WT-C pol protein (wild-type clade C) |
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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 | 94.6±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-C pol protein (wild-type clade C) |
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Name: | HIV WT-C pol protein (wild-type clade C) |
Synonyms: | Gag-Pol polyprotein [489-892,I504V,M525I,R530K,H558K,L578M,I582L,V609I,V623T,E624A,T627E,E628D,K631R,Q690K,D711S,C750S,D765E,T788A,Q795E,R799K,P831S,V833E,D838E,A860P,R865K,E879D,V880I] | POL_HV1N5 | WT-C | gag-pol |
Type: | Protein |
Mol. Mass.: | 45932.56 |
Organism: | Human immunodeficiency virus |
Description: | P12497[489-892,I504V,M525I,R530K,H558K,L578M,I582L,V609I,V623T,E624A,T627E,E628D,K631R,Q690K,D711S,C750S,D765E,T788A,Q795E,R799K,P831S,V833E,D838E,A860P,R865K,E879D,V880I] |
Residue: | 404 |
Sequence: | PQITLWQRPLVTIKVGGQLKEALLDTGADDTVLEEINLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGKKAIGTVLVGPTPVNIIGRNMLTQLGCTLNFPISPIETVPVKLKPGMDGPKI
KQWPLTEEKIKALTAICEDMEREGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELN
KRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKSFRKYTAFTIPSINNETPG
IRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPEIVIYQYMDDLYVGSDLEIGQHRAK
IEELREHLLKWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQSIELPEKESWTVNDIQKLV
GKLNWASQIYPGIKVKQLCKLLRGTKALTDIVPLTEEAELELAE
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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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