Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T90989 | Target Info | |||
| Target Name | Fibroblast growth factor receptor 4 (FGFR4) | ||||
| Synonyms | TKF; JTK2; FGFR-4; CD334 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | FGFR4 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-[2-[[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]amino]-3-fluoro-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | Ligand Info | |||
| Canonical SMILES | CCC(=O)NC1=C(C(=CC(=C1)N2CCC(CC2)N3CCOCC3)F)NC4=NNC5=C4C=C(C=C5)OC(C)C6=C(C=NC=C6Cl)Cl | ||||
| InChI | 1S/C32H36Cl2FN7O3/c1-3-29(43)37-28-15-21(41-8-6-20(7-9-41)42-10-12-44-13-11-42)14-26(35)31(28)38-32-23-16-22(4-5-27(23)39-40-32)45-19(2)30-24(33)17-36-18-25(30)34/h4-5,14-20H,3,6-13H2,1-2H3,(H,37,43)(H2,38,39,40)/t19-/m1/s1 | ||||
| InChIKey | DZCSXXJKTFXZJX-LJQANCHMSA-N | ||||
| PubChem Compound ID | 162679617 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7WCT Crystal structure of FGFR4 kinase domain with 7v | ||||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | Yes | [1] |
| PDB Sequence |
DLPLDPLWEF
462 PRDRLVLGKP472 LGEGCFGQVV482 RAEAFGMDPA492 RPDQASTVAV502 KMLKDNASDK 512 DLADLVSEME522 VMKLIGRHKN532 IINLLGVCTQ542 EGPLYVIVEC552 AAKGNLREFL 562 RARRPPGPDL572 SPDGPRSSEG582 PLSFPVLVSC592 AYQVARGMQY602 LESRKCIHRD 612 LAARNVLVTE622 DNVMKIADFG632 LARGVHHIDY642 YKKTSNGRLP652 VKWMAPEALF 662 DEVYTHQSDV672 WSFGILLWEI682 FTLGGSPYPG692 IPVEELFSLL702 REGHRMDRPP 712 HCPPELYGLM722 RECWHAAPSQ732 RPTFKQLVEA742 LDKVLLAVSE752 |
|||||
|
|
LEU473
3.042
GLY474
3.991
GLU475
4.009
VAL481
3.510
ARG483
2.862
THR499
4.083
VAL500
4.154
ALA501
3.501
LYS503
4.696
ILE534
4.527
VAL550
4.158
|
|||||
| PDB ID: 7WCX Crystal structure of FGFR4(V550M) kinase domain with 7v | ||||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [1] |
| PDB Sequence |
DLPLDPLWEF
462 PRDRLVLGKP472 LGEGAFGQVV482 RAEAFGMDPA492 RPDQASTVAV502 KMLKDNASDK 512 DLADLVSEME522 VMKLIGRHKN532 IINLLGVCTQ542 EGPLYVIMEC552 AAKGNLREFL 562 RARRPPGPDL572 SPDGPRSSEG582 PLSFPVLVSC592 AYQVARGMQY602 LESRKCIHRD 612 LAARNVLVTE622 DNVMKIADFG632 LARGVHHIDY642 YKKTSNGRLP652 VKWMAPEALF 662 DEVYTHQSDV672 WSFGILLWEI682 FTLGGSPYPG692 IPVEELFSLL702 REGHRMDRPP 712 HCPPELYGLM722 RECWHAAPSQ732 RPTFKQLVEA742 LDKVLLAVSE752 |
|||||
|
|
LEU473
3.077
GLY474
3.971
GLU475
4.556
VAL481
3.510
ARG483
3.012
THR499
4.444
VAL500
4.268
ALA501
3.507
ILE534
4.318
MET550
3.870
GLU551
2.833
|
|||||
| PDB ID: 7WCW Crystal structure of FGFR4(V550L) kinase domain with 7v | ||||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | Yes | [1] |
| PDB Sequence |
DLPLDPLWEF
462 PRDRLVLGKP472 LGEGAFGQVV482 RAEAFGMDPA492 RPDQASTVAV502 KMLKDNASDK 512 DLADLVSEME522 VMKLIGRHKN532 IINLLGVCTQ542 EGPLYVILEC552 AAKGNLREFL 562 RARRPPGPDL572 SPDGPRSSEG582 PLSFPVLVSC592 AYQVARGMQY602 LESRKCIHRD 612 LAARNVLVTE622 DNVMKIADFG632 LARGVHHIDY642 YKKTSNGRLP652 VKWMAPEALF 662 DEVYTHQSDV672 WSFGILLWEI682 FTLGGSPYPG692 IPVEELFSLL702 REGHRMDRPP 712 HCPPELYGLM722 RECWHAAPSQ732 RPTFKQLVEA742 LDKVLLAVSE752 |
|||||
|
|
LEU473
3.141
GLY474
3.728
GLU475
4.310
VAL481
3.657
ARG483
3.038
THR499
4.295
VAL500
4.277
ALA501
3.543
ILE534
4.451
LEU550
4.231
GLU551
2.834
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J Med Chem. 2022 Mar 24;65(6):5113-5133. | ||||
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