Receptor
PDB id Resolution Class Description Source Keywords
3T0W 1.5 Å NON-ENZYME: IMMUNE FLUOROGEN ACTIVATING PROTEIN M8VL IN COMPLEX WITH DIMETHYLIN HOMO SAPIENS IMMUNOGLOBULIN FOLD FLUOROGEN ACTIVATION DIMETHYLINDOLE REBINDING PROTEIN
Ref.: A VARIABLE LIGHT DOMAIN FLUOROGEN ACTIVATING PROTEI HOMODIMERIZES TO ACTIVATE DIMETHYLINDOLE RED. BIOCHEMISTRY V. 51 2471 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:201;
A:202;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
DIW A:204;
Valid;
none;
submit data
449.585 C26 H29 N2 O3 S CC1(c...
PE3 A:203;
Invalid;
none;
submit data
634.751 C28 H58 O15 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T0W 1.5 Å NON-ENZYME: IMMUNE FLUOROGEN ACTIVATING PROTEIN M8VL IN COMPLEX WITH DIMETHYLIN HOMO SAPIENS IMMUNOGLOBULIN FOLD FLUOROGEN ACTIVATION DIMETHYLINDOLE REBINDING PROTEIN
Ref.: A VARIABLE LIGHT DOMAIN FLUOROGEN ACTIVATING PROTEI HOMODIMERIZES TO ACTIVATE DIMETHYLINDOLE RED. BIOCHEMISTRY V. 51 2471 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
8 3DUS - KDO C8 H14 O8 C1[C@H]([C....
9 3DUR - KDO C8 H14 O8 C1[C@H]([C....
10 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
11 3DUU - KDO C8 H14 O8 C1[C@H]([C....
12 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
13 5XCU - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
14 5XCS - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
15 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
16 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
17 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DIW; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DIW 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T0W; Ligand: DIW; 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: 3t0w.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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