Receptor
PDB id Resolution Class Description Source Keywords
4H07 1.14 Å NON-ENZYME: TRANSPORT COMPLEX OF G65T MYOGLOBIN WITH PHENOL IN ITS PROXIMAL CAVITY PHYSETER CATODON OXYGEN TRANSPORT
Ref.: COMPLEX OF MYOGLOBIN WITH PHENOL BOUND IN A PROXIMA ACTA CRYSTALLOGR.,SECT.F V. 68 1465 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:207;
A:208;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
HEM A:201;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
IPH A:202;
Valid;
none;
submit data
94.111 C6 H6 O c1ccc...
SO4 A:203;
A:204;
A:205;
A:206;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H07 1.14 Å NON-ENZYME: TRANSPORT COMPLEX OF G65T MYOGLOBIN WITH PHENOL IN ITS PROXIMAL CAVITY PHYSETER CATODON OXYGEN TRANSPORT
Ref.: COMPLEX OF MYOGLOBIN WITH PHENOL BOUND IN A PROXIMA ACTA CRYSTALLOGR.,SECT.F V. 68 1465 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5KD1 - 3QM C9 H11 N O C[C@H](Cc1....
2 3U3E - IPH C6 H6 O c1ccc(cc1)....
3 4H07 - IPH C6 H6 O c1ccc(cc1)....
4 4NXC - N2O N2 O N#[N+][O-]
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 5KD1 - 3QM C9 H11 N O C[C@H](Cc1....
2 3U3E - IPH C6 H6 O c1ccc(cc1)....
3 4H07 - IPH C6 H6 O c1ccc(cc1)....
4 4NXC - N2O N2 O N#[N+][O-]
5 2O5L - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
6 2O58 - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
7 2O5M - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
8 2O5O - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 5KD1 - 3QM C9 H11 N O C[C@H](Cc1....
2 3U3E - IPH C6 H6 O c1ccc(cc1)....
3 4H07 - IPH C6 H6 O c1ccc(cc1)....
4 4NXC - N2O N2 O N#[N+][O-]
5 2O5L - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
6 2O58 - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
7 2O5M - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
8 2O5O - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IPH; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 IPH 1 1
2 HQE 0.4375 0.769231
3 RCO 0.421053 0.666667
4 HX8 0.407407 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4H07; Ligand: IPH; 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: 4h07.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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