| Reaction Details |
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 | Report a problem with these data |
| Target | HIV WT-A pol protein (wild-type clade A) |
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| Ligand | BDBM104102 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Drug Susceptibility Assay |
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| EC50 | 2.3±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) |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 45854.50 |
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| Organism: | Human immunodeficiency virus |
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| 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] |
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| Residue: | 404 |
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| Sequence: | PQITLWQRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNFPISPIETVPVTLKPGMDGPKI
KQWPLTEEKIKALTEICKEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELN
KRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPG
IRYQYNVLPQGWKGSPAIFQSSMIKILEPFRSQNPEIIIYQYMDDLYVGSDLEIGQHRAK
VEELRAHLLKWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIQLPDKDSWTVNDIQKLV
GKLNWASQIYPGIKVKQLCRLLRGAKALTDIVPLTEEAELELAE
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| BDBM104102 |
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| n/a |
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| Name | BDBM104102 |
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| Synonyms: | (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)[(2S)-2- methylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AG-23) |
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| Type | Small organic molecule |
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| Emp. Form. | C30H42N4O5S2 |
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| Mol. Mass. | 602.808 |
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| SMILES | CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1 |r| |
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| Structure | 
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