Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T55703 | Target Info | |||
| Target Name | Plasma retinol-binding protein (RBP4) | ||||
| Synonyms | Retinol-binding protein 4; RBP4; RBP; Plasma retinol-binding protein(1-176); PRBP | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | RBP4 | ||||
| Biochemical Class | Calycin family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-[({4-[2-(Trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | Ligand Info | |||
| Canonical SMILES | C1CN(CCC1C2=CC=CC=C2C(F)(F)F)C(=O)NC3=CC=CC=C3C(=O)O | ||||
| InChI | 1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27) | ||||
| InChIKey | MEAQCLPMSVEOQF-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 25138295 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3FMZ Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
ERDCRVSSFR
10 VKENFDKARF20 SGTWYAMAKK30 DPEGLFLQDN40 IVAEFSVDET50 GQMSATAKGR 60 VRLLNNWDVC70 ADMVGTFTDT80 EDPAKFKMKY90 WGVASFLQKG100 NDDHWIVDTD 110 YDTYAVQYSC120 RLLNLDGTCA130 DSYSFVFSRD140 PNGLPPEAQK150 IVRQRQEELC 160 LARQYRLIVH170 NGYC
|
|||||
|
|
LEU35
3.280
PHE36
3.235
LEU37
3.134
ALA43
4.756
PHE45
4.362
ALA55
3.882
THR56
4.182
ALA57
3.611
VAL61
4.829
MET73
3.457
VAL74
3.928
GLY75
3.577
|
|||||
| PDB ID: 6QBA Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
ERDCRVSSFR
10 VKENFDKARF20 SGTWYAMAKK30 DPEGLFLQDN40 IVAEFSVDET50 GQMSATAKGR 60 VRLLNNWDVC70 ADMVGTFTDT80 EDPAKFKMKY90 WGVASFLQKG100 NDDHWIVDTD 110 YDTYAVQYSC120 RLLNLDGTCA130 DSYSFVFSRD140 PNGLPPEAQK150 IVRQRQEELC 160 LARQYRLIVH170 NGYCDG
|
|||||
|
|
LEU35
2.698
PHE36
2.696
LEU37
2.136
ILE41
4.490
ALA43
4.155
PHE45
3.218
ALA55
2.819
THR56
3.404
ALA57
2.896
VAL61
2.986
MET73
2.653
VAL74
3.189
GLY75
3.077
PHE77
3.343
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Identification and characterization of a non-retinoid ligand for retinol-binding protein 4 which lowers serum retinol-binding protein 4 levels in vivo. J Biol Chem. 2009 Mar 20;284(12):7673-80. | ||||
| REF 2 | A conformation-specific ON-switch for controlling CAR T cells with an orally available drug. Proc Natl Acad Sci U S A. 2020 Jun 30;117(26):14926-14935. | ||||
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