Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T22939 | Target Info | |||
| Target Name | Progesterone receptor (PGR) | ||||
| Synonyms | PR; Nuclear receptor subfamily 3 group C member 3; NR3C3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PGR | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-Chloro-N-[[4-(3,5-Dimethylisoxazol-4-Yl)phenyl]methyl]-1,4-Dimethyl-1h-Pyrazole-4-Sulfonamide | Ligand Info | |||
| Canonical SMILES | CC1=C(C(=NO1)C)C2=CC=C(C=C2)CNS(=O)(=O)C3=C(N(N=C3C)C)Cl | ||||
| InChI | 1S/C17H19ClN4O3S/c1-10-15(12(3)25-21-10)14-7-5-13(6-8-14)9-19-26(23,24)16-11(2)20-22(4)17(16)18/h5-8,19H,9H2,1-4H3 | ||||
| InChIKey | XNTNHEPWXKNVBH-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 53313347 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3ZR7 Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
LIPPLINLLM
692 SIEPDVIYAG702 HDNTKPDTSS712 SLLTSLNQLG722 ERQLLSVVKW732 SKSLPGFRNL 742 HIDDQITLIQ752 YSWMSLMVFG762 LGWRSYKHVS772 GQMLYFAPDL782 ILNEQRMKES 792 SFYSLCLTMW802 QIPQEFVKLQ812 VSQEEFLCMK822 VLLLLNTIPL832 EGLRSQTQFE 842 EMRSSYIREL852 IKAIGLRQKG862 VVSSSQRFYQ872 LTKLLDNLHD882 LVKQLHLYCL 892 NTFIQSRALS902 VEFPEMMSEV912 IAAQLPKILA922 GMVKPLLFHK932 |
|||||
|
|
LEU715
3.349
LEU718
3.583
ASN719
2.709
LEU721
3.866
GLY722
3.751
GLN725
3.153
TRP755
3.595
MET756
3.586
MET759
3.570
VAL760
4.098
LEU763
3.667
|
|||||
| PDB ID: 3ZRB Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
LIPPLINLLM
692 SIEPDVIYAG702 HDNTKPDTSS712 SLLTSLNQLG722 ERQLLSVVKW732 SKSLPGFRNL 742 HIDDQITLIQ752 YSWMSLMVFG762 LGWRSYKHVS772 GQMLYFAPDL782 ILNEQRMKES 792 SFYSLCLTMW802 QIPQEFVKLQ812 VSQEEFLCMK822 VLLLLNTIPL832 EGLRSQTQFE 842 EMRSSYIREL852 IKAIGLRQKG862 VVSSSQRFYQ872 LTKLLDNLHD882 LVKQLHLYCL 892 NTFIQSRALS902 VEFPEMMSEV912 IAAQLPKILA922 GMVKPLLFHK932 |
|||||
|
|
LEU715
3.579
LEU718
3.596
ASN719
2.709
LEU721
3.670
GLY722
3.951
GLN725
3.117
TRP755
3.733
MET756
3.677
MET759
3.416
VAL760
3.847
LEU763
3.806
|
|||||
| PDB ID: 4APU PR X-Ray structures in agonist conformations reveal two different mechanisms for partial agonism in 11beta-substituted steroids | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
LIPPLINLLM
692 SIEPDVIYAG702 HDNTKPDTSS712 SLLTSLNQLG722 ERQLLSVVKW732 SKSLPGFRNL 742 HIDDQITLIQ752 YSWMSLMVFG762 LGWRSYKHVS772 GQMLYFAPDL782 ILNEQRMKES 792 SFYSLCLTMW802 QIPQEFVKLQ812 VSQEEFLCMK822 VLLLLNTIPL832 EGLRSQTQFE 842 EMRSSYIREL852 IKAIGLRQKG862 VVSSSQRFYQ872 LTKLLDNLHD882 LVKQLHLYCL 892 NTFIQSRALS902 VEFPEMMSEV912 IAAQLPKILA922 GMVKPLLFHK932 |
|||||
|
|
LEU715
3.278
LEU718
3.393
ASN719
2.963
LEU721
3.694
GLY722
3.645
GLN725
3.133
TRP755
3.424
MET756
2.937
MET759
3.251
VAL760
4.151
LEU763
3.944
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J Biol Chem. 2011 Oct 7;286(40):35079-86. | ||||
| REF 2 | X-ray structures of progesterone receptor ligand binding domain in its agonist state reveal differing mechanisms for mixed profiles of 11beta-substituted steroids. J Biol Chem. 2012 Jun 8;287(24):20333-43. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.