Reaction Details |
| Report a problem with these data |
Target | HIV WT-C pol protein (wild-type clade C) |
---|
Ligand | BDBM104102 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | Drug Susceptibility Assay |
---|
EC50 | 3.5±0.0 nM |
---|
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 |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
HIV WT-C pol protein (wild-type clade C) |
---|
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
|
|
|
BDBM104102 |
---|
n/a |
---|
Name | BDBM104102 |
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) |
Type | Small organic molecule |
Emp. Form. | C30H42N4O5S2 |
Mol. Mass. | 602.808 |
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| |
Structure |
|