Receptor
PDB id Resolution Class Description Source Keywords
1QD0 2.5 Å NON-ENZYME: IMMUNE CAMELID HEAVY CHAIN VARIABLE DOMAINS PROVIDE EFFICIENT COMBI TO HAPTENS LAMA GLAMA CAMELID VH IMMUNOGLOBULIN FRAGMENT AZO-DYE IMMUNE SYSTEM
Ref.: CAMELID HEAVY-CHAIN VARIABLE DOMAINS PROVIDE EFFICI COMBINING SITES TO HAPTENS. BIOCHEMISTRY V. 39 1217 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CU A:1001;
A:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
63.546 Cu [Cu+2...
RR6 A:1003;
Valid;
none;
submit data
1116.01 C35 H25 N9 O22 S6 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QD0 2.5 Å NON-ENZYME: IMMUNE CAMELID HEAVY CHAIN VARIABLE DOMAINS PROVIDE EFFICIENT COMBI TO HAPTENS LAMA GLAMA CAMELID VH IMMUNOGLOBULIN FRAGMENT AZO-DYE IMMUNE SYSTEM
Ref.: CAMELID HEAVY-CHAIN VARIABLE DOMAINS PROVIDE EFFICI COMBINING SITES TO HAPTENS. BIOCHEMISTRY V. 39 1217 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1QD0 - RR6 C35 H25 N9 O22 S6 c1cc(c(cc1....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1QD0 - RR6 C35 H25 N9 O22 S6 c1cc(c(cc1....
2 6ITP Kd = 22.4 uM HCY C21 H30 O5 C[C@]12CCC....
3 6ITQ Kd = 20.5 uM HCY C21 H30 O5 C[C@]12CCC....
4 5VM0 Kd = 1.6 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
5 3QXT Kd = 6700 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
6 3QXV Kd = 5 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
7 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 1QD0 - RR6 C35 H25 N9 O22 S6 c1cc(c(cc1....
2 6ITP Kd = 22.4 uM HCY C21 H30 O5 C[C@]12CCC....
3 6ITQ Kd = 20.5 uM HCY C21 H30 O5 C[C@]12CCC....
4 1I3U - RR1 C19 H16 N8 O10 S3 c1ccc(c(c1....
5 5VM6 ic50 = 78 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
6 5VM0 Kd = 1.6 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
7 3LN9 - FLC C6 H5 O7 C(C(=O)[O-....
8 3QXT Kd = 6700 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
9 3QXV Kd = 5 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
10 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
11 5VL2 Kd = 3.77 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RR6; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RR6 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: RR6; 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 : 1QD0; Ligand: RR6; 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: 1qd0.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QD0; Ligand: RR6; 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: 1qd0.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QD0; Ligand: RR6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1qd0.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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