Receptor
PDB id Resolution Class Description Source Keywords
2a3w 2.2 Å NON-ENZYME: OTHER DECAMERIC STRUCTURE OF HUMAN SERUM AMYLOID P-COMPONENT BOUND 2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-E HOMO SAPIENS MULTIVALENT LIGAND COMPLEX METAL BINDING PROTEIN
Ref.: LIGAND-ASSISTED AGGREGATION OF PROTEINS: DIMERIZATI SERUM AMYLOID P COMPONENT BY BIVALENT LIGANDS. J.BIOL.CHEM. V. 280 31999 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
A:302;
B:303;
B:304;
C:305;
C:306;
D:307;
D:308;
E:309;
E:310;
F:311;
F:312;
G:313;
G:314;
H:315;
H:316;
I:317;
I:318;
J:319;
J:320;
K:321;
K:322;
L:323;
L:324;
M:325;
M:326;
N:327;
N:328;
O:329;
O:330;
P:331;
P:332;
Q:333;
Q:334;
R:335;
R:336;
S:337;
S:338;
T:339;
T:340;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CPJ A:341;
B:342;
C:343;
D:344;
E:345;
L:347;
M:348;
N:349;
P:346;
Q:350;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
ic50 = 3.8 uM
436.368 C16 H24 N2 O12 CC1(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AVV 1.6 Å NON-ENZYME: OTHER STRUCTURE OF CPHPC BOUND TO SERUM AMYLOID P COMPONENT HOMO SAPIENS SUGAR BINDING PROTEIN LECTIN METAL-BINDING
Ref.: INTERACTION OF SERUM AMYLOID P COMPONENT WITH HEXAN BIS(D-PROLINE) (CPHPC) ACTA CRYSTALLOGR.,SECT.D V. 70 2232 2014
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2A3Y ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
2 4AYU Kd = 18.6 uM N8P C7 H11 N O3 CC(=O)N1CC....
3 2A3W ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
4 1GYK - CDG C10 H16 O8 C[C@]1(OC[....
5 4AVV Kd = 0.0088 uM GHE C16 H24 N2 O6 C1C[C@@H](....
6 3KQR - OPE C2 H8 N O4 P C(COP(=O)(....
7 2W08 Kd = 380 uM TPO C4 H10 N O6 P C[C@H]([C@....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1B09 - PC C5 H15 N O4 P C[N+](C)(C....
2 2A3Y ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
3 4AYU Kd = 18.6 uM N8P C7 H11 N O3 CC(=O)N1CC....
4 2A3W ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
5 1GYK - CDG C10 H16 O8 C[C@]1(OC[....
6 4AVV Kd = 0.0088 uM GHE C16 H24 N2 O6 C1C[C@@H](....
7 3KQR - OPE C2 H8 N O4 P C(COP(=O)(....
8 2W08 Kd = 380 uM TPO C4 H10 N O6 P C[C@H]([C@....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1B09 - PC C5 H15 N O4 P C[N+](C)(C....
2 2A3Y ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
3 4AYU Kd = 18.6 uM N8P C7 H11 N O3 CC(=O)N1CC....
4 2A3W ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
5 1GYK - CDG C10 H16 O8 C[C@]1(OC[....
6 4AVV Kd = 0.0088 uM GHE C16 H24 N2 O6 C1C[C@@H](....
7 3KQR - OPE C2 H8 N O4 P C(COP(=O)(....
8 2W08 Kd = 380 uM TPO C4 H10 N O6 P C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CPJ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CPJ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4avv.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: 3
This union binding pocket(no: 3) in the query (biounit: 4avv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XOM GAL GAL GAL 0.009273 0.41175 5.26316
2 3E9I XAH 0.03081 0.41144 5.88235
3 3FYP PEP 0.00495 0.42047 9.31373
Pocket No.: 4; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4avv.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4avv.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4avv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 4avv.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 4avv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found: 9
This union binding pocket(no: 23) in the query (biounit: 4avv.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GBB CIT 0.01463 0.40083 1.92308
2 1LVG 5GP 0.01116 0.41673 5.05051
3 2XOM GAL GAL GAL 0.009273 0.41175 5.26316
4 3E9I XAH 0.03081 0.41144 5.88235
5 2I6A 5I5 0.02016 0.40398 6.37255
6 3FYP PEP 0.00495 0.42047 9.31373
7 3HRD FAD 0.006497 0.45926 12.2549
8 3S5Y DGJ 0.007634 0.41869 13.2353
9 3A5Z KAA 0.04374 0.40054 15.7068
Pocket No.: 24; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 26; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 26) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 27; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 27) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 28) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 29; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 29) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 30; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 30) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 31; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 31) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 32; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 32) in the query (biounit: 4avv.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 33; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 33) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 34; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 34) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 35; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 35) in the query (biounit: 4avv.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 36; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 36) in the query (biounit: 4avv.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback