Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN D:6038;
D:4032;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
CD B:1211;
D:6041;
A:1210;
C:1205;
D:6044;
A:1209;
D:6042;
B:1212;
C:1210;
E:1219;
D:6040;
B:1210;
C:1212;
E:1218;
E:1217;
C:1208;
A:1212;
E:1209;
B:1214;
A:1218;
E:1208;
E:1216;
C:1211;
B:1216;
A:1211;
E:1211;
E:1212;
C:1206;
D:6043;
A:1216;
A:1219;
B:1215;
B:1209;
A:1213;
E:1210;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Valid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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
112.411 Cd [Cd+2...
NAG E:1213;
D:6039;
D:6033;
A:1214;
D:6034;
C:1209;
D:5032;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
GHE A:1207;
E:1207;
D:1207;
C:1207;
B:1207;
Invalid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
Kd = 0.0088 uM
340.372 C16 H24 N2 O6 C1C[C...
SIA D:1205;
D:6037;
B:1213;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
ACT E:1214;
A:1215;
E:1206;
A:1208;
E:1215;
B:1208;
A:1205;
A:1206;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GAL D:1132;
D:6036;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
NAG NAG B:1205;
Invalid;
none;
submit data
408.404 n/a O=C(N...
BMA D:6035;
Invalid;
none;
submit data
180.156 C6 H12 O6 C([C@...
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 1443 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 1205 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 1039 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: CD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CD 1 1
Ligand no: 2; Ligand: GHE; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 GHE 1 1
2 28T 0.537037 0.897959
3 2P0 0.5 0.724138
4 N7P 0.5 0.770833
5 N8P 0.5 0.770833
6 SLC 0.44 0.769231
7 X8Z 0.423077 0.8
8 MCO 0.423077 0.8
9 GLY PRO 0.416667 0.78
10 P0H 0.409091 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AVV; Ligand: GHE; 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: 4avv.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4AVV; Ligand: CD; 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: 4avv.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4AVV; Ligand: CD; 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: 4avv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 4AVV; Ligand: GHE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 4avv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 26; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 27; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 29; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 30; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 31; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 32; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 33; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 34; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 35; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 36; Query (leader) PDB : 4AVV; Ligand: CD; Similar sites found with APoc: 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 Sequence Similarity
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