Ki Summary

Reaction Details

Report a problem with these data

Target

Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q]

Ligand

BDBM104102

Substrate/Competitor

n/a

Meas. Tech.

Drug Susceptibility Assay

EC50

1.9±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

Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q]

Name:

Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q]

Synonyms:

HIV WT-B pol protein (wild-type clade B) | POL_HV1N5 | WT-B | gag-pol

Type:

Protein

Mol. Mass.:

46017.68

Organism:

Human immunodeficiency virus

Description:

P12497[489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q]

Residue:

404

Sequence:

PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMHLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLIGPTPVNIIGRNLLTQLGCTLNFPISPIETVPVKLKPGMDGPKV
KQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPIFAIKKKDSTKWRKLVDFRELN
KRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSVNNETPG
IRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRAK
IEELREHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLV
GKLNWASQIYAGIKVRQLCKLLRGAKALTEVIQLTEEAELELAE

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