Receptor
PDB id Resolution Class Description Source Keywords
3T0X 1.96 Å NON-ENZYME: IMMUNE FLUOROGEN ACTIVATING PROTEIN M8VLA4(S55P) IN COMPLEX WITH DIMETHYLINDOLE RED 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
DIW A:201;
Valid;
none;
submit data
449.585 C26 H29 N2 O3 S CC1(c...
EDO A:202;
A:203;
A:204;
A:205;
A:206;
A:207;
A:208;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 B:201;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T0X 1.96 Å NON-ENZYME: IMMUNE FLUOROGEN ACTIVATING PROTEIN M8VLA4(S55P) IN COMPLEX WITH DIMETHYLINDOLE RED 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 199 families.
1 3T0X - 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 65 families.
1 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 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 3DUS - KDO C8 H14 O8 C1[C@H]([C....
8 3DUR - KDO C8 H14 O8 C1[C@H]([C....
9 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
10 1DL7 Kd = 0.32 uM NCH C11 H18 N2 O6 P C[N+](C)(C....
11 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
12 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
13 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
14 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
15 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 : 3T0X; Ligand: DIW; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 3t0x.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GM5 CIT 0.01286 0.4119 2.43902
2 1UPR 4IP 0.04129 0.40115 3.25203
3 5BVB DOG 0.01103 0.41729 5.69106
4 5UQD AKG 0.01108 0.41663 6.50407
5 1P0Z FLC 0.01298 0.41396 8.13008
6 4JH6 FCN 0.0163 0.40188 9.7561
7 2HZQ STR 0.01108 0.41704 12.069
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