| Reaction Details |
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 | Report a problem with these data |
| Target | Reverse transcriptase |
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| Ligand | BDBM50103642 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1467341 (CHEMBL3411578) |
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| IC50 | 89±n/a nM |
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| Citation |  Huang, B; Li, C; Chen, W; Liu, T; Yu, M; Fu, L; Sun, Y; Liu, H; De Clercq, E; Pannecouque, C; Balzarini, J; Zhan, P; Liu, X Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 3: optimization of [1,2,4]triazolo[1,5-a]pyrimidine core via structure-based and physicochemical property-driven approaches. Eur J Med Chem92:754-65 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Reverse transcriptase |
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| Name: | Reverse transcriptase |
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| Synonyms: | n/a |
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| Type: | Protein |
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| Mol. Mass.: | 29598.37 |
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| Organism: | Human immunodeficiency virus 1 |
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| Description: | Q9WKE8 |
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| Residue: | 254 |
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| Sequence: | PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVF
AIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLD
KDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIY
QYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTV
QPIVLPEKDSWTVN
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| BDBM50103642 |
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| n/a |
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| Name | BDBM50103642 |
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| Synonyms: | 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile | 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile | CHEMBL308954 | ETRAVIRINE | Etravirine (ETR) | Etravirine (ETV) | Etravirine (TMC125) | TMC 125 | TMC-125 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H15BrN6O |
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| Mol. Mass. | 435.277 |
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| SMILES | Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N |
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| Structure | 
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