Receptor
PDB id Resolution Class Description Source Keywords
6Z10 2.27 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A HUMANIZED (K18E, K269N) RAT SUCCINATE SUCNR1 (GPR91) IN COMPLEX WITH A NANOBODY AND ANTAGONIST RATTUS NORVEGICUS G PROTEIN-COUPLED RECEPTOR GPCR SUCCINATE RECEPTOR MEMBRANE
Ref.: DISCOVERY AND OPTIMIZATION OF NOVEL SUCNR1 INHIBITO DESIGN OF ZWITTERIONIC DERIVATIVES WITH A SALT BRID THE IMPROVEMENT OF ORAL EXPOSURE. J.MED.CHEM. V. 63 9856 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLC A:412;
A:405;
A:411;
A:408;
A:403;
A:404;
A:413;
A:409;
A:402;
A:410;
A:407;
A:406;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
SO4 A:414;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
Q4T A:401;
 Valid;
 none;
 submit data
518.912 C26 H22 Cl F3 N2 O4 c1cc(...
CL A:415;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RNK 1.94 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A HUMANIZED (K18E, K269N) RAT SUCCINATE SUCNR1 (GPR91) IN COMPLEX WITH A NANOBODY AND ANTAGONIST NF RATTUS NORVEGICUS SUCNR1 GPR91 GPCR G-PROTEIN COUPLED RECEPTOR NANOBODY ANTAGONIST SUCCINATE COMPLEX MEMBRANE PROTEIN
Ref.: STRUCTURAL BASIS OF SPECIES-SELECTIVE ANTAGONIST BI THE SUCCINATE RECEPTOR. NATURE V. 574 581 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 6IBB - H95 C6 H14 O2 C[C@H](CC[....
2 6Z10 - Q4T C26 H22 Cl F3 N2 O4 c1cc(c(c(c....
3 6RNK - KAZ C27 H29 N3 O3 CN1CCN(CC1....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6IBB - H95 C6 H14 O2 C[C@H](CC[....
2 6Z10 - Q4T C26 H22 Cl F3 N2 O4 c1cc(c(c(c....
3 6RNK - KAZ C27 H29 N3 O3 CN1CCN(CC1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6IBB - H95 C6 H14 O2 C[C@H](CC[....
2 6Z10 - Q4T C26 H22 Cl F3 N2 O4 c1cc(c(c(c....
3 6RNK - KAZ C27 H29 N3 O3 CN1CCN(CC1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: Q4T; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 Q4T 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: Q4T; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RNK; Ligand: KAZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6rnk.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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