| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Gag-Pol polyprotein |
|---|
| Ligand | BDBM50050955 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1771313 (CHEMBL4223425) |
|---|
| IC50 | 552±n/a nM |
|---|
| Citation |  Chen, Y; Sit, SY; Chen, J; Swidorski, JJ; Liu, Z; Sin, N; Venables, BL; Parker, DD; Nowicka-Sans, B; Lin, Z; Li, Z; Terry, BJ; Protack, T; Rahematpura, S; Hanumegowda, U; Jenkins, S; Krystal, M; Dicker, ID; Meanwell, NA; Regueiro-Ren, A The design, synthesis and structure-activity relationships associated with C28 amine-based betulinic acid derivatives as inhibitors of HIV-1 maturation. Bioorg Med Chem Lett28:1550-1557 (2018) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Gag-Pol polyprotein |
|---|
| Name: | Gag-Pol polyprotein |
|---|
| Synonyms: | HIV-1 reverse transcriptase (HIV-1 RT) | Integrase | POL_HV1H2 | Pr160Gag-Pol | Protease | Reverse transcriptase (HIV-1 RT) | Reverse transcriptase (RT) | Ribonuclease H (RNase H) | gag-pol | p51 RT | p66 RT |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 162074.74 |
|---|
| Organism: | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) |
|---|
| Description: | P04585 |
|---|
| Residue: | 1435 |
|---|
| Sequence: | MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQI
LGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAA
DTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGAT
PQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTT
STLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRF
YKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKA
RVLAEAMSQVTNSATIMMQRGNFRNQRKIVKCFNCGKEGHTARNCRAPRKKGCWKCGKEG
HQMKDCTERQANFLREDLAFLQGKAREFSSEQTRANSPTRRELQVWGRDNNSPSEAGADR
QGTVSFNFPQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGG
FIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPIETVPVKLK
PGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRK
LVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIP
SINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDL
EIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWT
VNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEP
VHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQ
KITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEP
IVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEV
NIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVS
AGIRKVLFLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQ
VDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTI
HTDNGSNFTGATVRAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLK
TAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRNP
LWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
|
|
|
|---|
| BDBM50050955 |
|---|
| n/a |
|---|
| Name | BDBM50050955 |
|---|
| Synonyms: | 2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl) ester | 3-O-(3',3'-dimethyl-succinyl)-betulinic acid | 3-O-(3',3'-dimethylsuccinyl)-betulinic acid | 3-O-(3',3'-dimethylsuccinyl)betulinic acid | BEVIRIMAT | CHEMBL404519 | DBS, PA-457 | PA-457 | US11660306, Example bevirimat |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C36H56O6 |
|---|
| Mol. Mass. | 584.8262 |
|---|
| SMILES | CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| |
|---|
| Structure | 
|
|---|
Search and Browse
