Receptor
PDB id Resolution Class Description Source Keywords
1F5F 1.7 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMP ZINC HOMO SAPIENS JELLYROLL SIGNALING PROTEIN
Ref.: STEROID-BINDING SPECIFICITY OF HUMAN SEX HORMONE-BI GLOBULIN IS INFLUENCED BY OCCUPANCY OF A ZINC-BINDI J.BIOL.CHEM. V. 275 25920 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:250;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
DHT A:253;
Valid;
none;
submit data
290.44 C19 H30 O2 C[C@]...
IPA A:254;
Invalid;
none;
submit data
60.095 C3 H8 O CC(C)...
ZN A:251;
A:252;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F5F 1.7 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMP ZINC HOMO SAPIENS JELLYROLL SIGNALING PROTEIN
Ref.: STEROID-BINDING SPECIFICITY OF HUMAN SEX HORMONE-BI GLOBULIN IS INFLUENCED BY OCCUPANCY OF A ZINC-BINDI J.BIOL.CHEM. V. 275 25920 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1F5F - DHT C19 H30 O2 C[C@]12CCC....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1D2S - DHT C19 H30 O2 C[C@]12CCC....
2 1KDM - DHT C19 H30 O2 C[C@]12CCC....
3 1KDK Kd = 0.9 nM DHT C19 H30 O2 C[C@]12CCC....
4 1LHV - NOG C21 H28 O2 CC[C@]12CC....
5 1LHN - AON C19 H32 O2 C[C@]12CC[....
6 1LHU - EST C18 H24 O2 C[C@]12CC[....
7 1LHW Kd = 6.9 nM ESM C19 H26 O3 C[C@]12CC[....
8 1LHO - AOM C19 H32 O2 C[C@]12CC[....
9 1F5F - DHT C19 H30 O2 C[C@]12CCC....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1D2S - DHT C19 H30 O2 C[C@]12CCC....
2 1KDM - DHT C19 H30 O2 C[C@]12CCC....
3 1KDK Kd = 0.9 nM DHT C19 H30 O2 C[C@]12CCC....
4 1LHV - NOG C21 H28 O2 CC[C@]12CC....
5 1LHN - AON C19 H32 O2 C[C@]12CC[....
6 1LHU - EST C18 H24 O2 C[C@]12CC[....
7 1LHW Kd = 6.9 nM ESM C19 H26 O3 C[C@]12CC[....
8 1LHO - AOM C19 H32 O2 C[C@]12CC[....
9 1F5F - DHT C19 H30 O2 C[C@]12CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DHT; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 BDT 1 1
2 DHT 1 1
3 CI2 0.602941 0.78125
4 3KL 0.551282 0.805556
5 5SD 0.536232 0.78125
6 ANO 0.536232 0.78125
7 AON 0.530303 0.935484
8 AOM 0.530303 0.935484
9 ENM 0.472527 0.659091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F5F; Ligand: DHT; 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: 1f5f.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1F5F; Ligand: DHT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1f5f.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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