Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T23673 | Target Info | |||
| Target Name | Proto-oncogene c-RAF (c-RAF) | ||||
| Synonyms | cRaf; Raf-1; RAF proto-oncogene serine/threonine-protein kinase; RAF | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | RAF1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | [(2S)-2-azaniumyl-2-carboxyethyl] [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] phosphate | Ligand Info | |||
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)O)[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC | ||||
| InChI | 1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1 | ||||
| InChIKey | WTBFLCSPLLEDEM-JIDRGYQWSA-N | ||||
| PubChem Compound ID | 44825325 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6PTS NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A) | ||||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [1] |
| PDB Sequence |
NTIRVFLPNK
365 QRTVVNVRNG375 MSLHDCLMKA385 LKVRGLQPEC395 CAVFRLLQEH405 KGKKARLDWN 415 TDAASLIGEE425 LQVDFLDHVP435 LTTHNFARKT445 FLKLAFCDIC455 QKFLLNGFRC 465 QTCGYKFHEH475 CSTKVPTMCV485 DW
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| PDB ID: 6PTW NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B) | ||||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [1] |
| PDB Sequence |
NTIRVFLPNK
365 QRTVVNVRNG375 MSLHDCLMKA385 LKVRGLQPEC395 CAVFRLLQEH405 KGKKARLDWN 415 TDAASLIGEE425 LQVDFLDHVP435 LTTHNFARKT445 FLKLAFCDIC455 QKFLLNGFRC 465 QTCGYKFHEH475 CSTKVPTMCV485 DW
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane. Proc Natl Acad Sci U S A. 2020 Jun 2;117(22):12101-12108. | ||||
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