Searching for structures with analogs of Entrectinib.
Search results (24 entries covering 11 PDB structures)
| # | Kinase | Family | Group | PDB | Chain | (Alternate) Model | Orthosteric ligand | Organism | Details | Similarity (MFP) | File |
|---|---|---|---|---|---|---|---|---|---|---|---|
| AURKA (AurA) | Aur | Other | 2bmc | A | (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide | Human | 2015 | 0.42 | |||
| FGFR4 | FGFR | TK | 7wcw | A | ~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Human | 14168 | 0.40 | |||
| AURKA (AurA) | Aur | Other | 2j4z | B | 4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide | Human | 1990 | 0.40 | |||
| FGFR4 | FGFR | TK | 7wcx | A | ~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Human | 14166 | 0.40 | |||
| PLK1 | PLK | Other | 2owb | A | B | 4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide | Human | 4958 | 0.40 | ||
| AURKA (AurA) | Aur | Other | 2bmc | D | (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide | Human | 1984 | 0.42 | |||
| PLK1 | PLK | Other | 2owb | A | A | 4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide | Human | 4974 | 0.40 | ||
| AURKA (AurA) | Aur | Other | 2bmc | F | (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide | Human | 1993 | 0.42 | |||
| ALK | ALK | TK | 5ftq | A | B | n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide | Human | 6518 | 0.89 | ||
| FGFR4 | FGFR | TK | 7wct | A | ~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Human | 14167 | 0.40 | |||
| AURKA (AurA) | Aur | Other | 2bmc | E | (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide | Human | 2069 | 0.42 | |||
| AURKA (AurA) | Aur | Other | 2bmc | B | (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide | Human | 2008 | 0.42 | |||
| AURKA (AurA) | Aur | Other | 2bmc | C | (3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide | Human | 2060 | 0.42 | |||
| AURKA (AurA) | Aur | Other | 2j4z | A | 4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide | Human | 2053 | 0.40 | |||
| ALK | ALK | TK | 5fto | A | A | entrectinib | Human | 6520 | 0.63 | ||
| FGFR1 | FGFR | TK | 4uwb | A | B | n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide | Human | 6023 | 0.42 | ||
| FGFR1 | FGFR | TK | 4uwb | B | A | n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide | Human | 6018 | 0.42 | ||
| FGFR1 | FGFR | TK | 4uwb | B | B | n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide | Human | 6022 | 0.42 | ||
| FGFR1 | FGFR | TK | 4uwb | A | A | n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide | Human | 6020 | 0.42 | ||
| CDK2 | CDK | CMGC | 2r64 | A | n-[5-(1,1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide | Human | 4425 | 0.44 | |||
| ALK | ALK | TK | 5fto | A | B | entrectinib | Human | 6521 | 0.63 | ||
| ALK | ALK | TK | 5ftq | A | A | n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide | Human | 6519 | 0.89 | ||
| NTRK1 (TRKA) | Trk | TK | 5kvt | A | B | entrectinib | Human | 9451 | 0.63 | ||
| NTRK1 (TRKA) | Trk | TK | 5kvt | A | A | entrectinib | Human | 9450 | 0.63 |
Entrectinib
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