Receptor
PDB id Resolution Class Description Source Keywords
1WZ1 1.85 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE FV FRAGMENT COMPLEXED WITH DANSYL- LYSINE MUS MUSCULUS ANTIGEN-ANTIBODY FRAGENT COMPLEX IMMUNE SYSTEM
Ref.: CONFORMATIONAL DYNAMICS OF COMPLEMENTARITY-DETERMINING REGION H3 OF AN ANTI-DANSYL FV FRAGMENT IN THE PRESENCE OF ITS HAPTEN J.MOL.BIOL. V. 351 627 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DNS H:200;
 Valid;
 none;
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379.474 C18 H25 N3 O4 S CN(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WZ1 1.85 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE FV FRAGMENT COMPLEXED WITH DANSYL- LYSINE MUS MUSCULUS ANTIGEN-ANTIBODY FRAGENT COMPLEX IMMUNE SYSTEM
Ref.: CONFORMATIONAL DYNAMICS OF COMPLEMENTARITY-DETERMINING REGION H3 OF AN ANTI-DANSYL FV FRAGMENT IN THE PRESENCE OF ITS HAPTEN J.MOL.BIOL. V. 351 627 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 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 3DUS - KDO C8 H14 O8 C1[C@H]([C....
7 3DUR - KDO C8 H14 O8 C1[C@H]([C....
8 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
9 3DUU - KDO C8 H14 O8 C1[C@H]([C....
10 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 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 (2D)
Ligand no: 1; Ligand: DNS; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 DNS 1 1
2 11D 0.671233 0.916667
3 C4H 0.623377 0.851351
4 420 0.581081 0.802632
5 9DN 0.539474 0.826667
6 9NV 0.532468 0.887324
7 DSO 0.52809 0.84
8 9NF 0.493976 0.884058
9 DDT 0.421053 0.802632
10 MNS 0.42029 0.724638
Similar Ligands (3D)
Ligand no: 1; Ligand: DNS; 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 : 1WZ1; Ligand: DNS; 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: 1wz1.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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