Receptor
PDB id Resolution Class Description Source Keywords
4XNV 2.2 Å NON-ENZYME: OTHER THE HUMAN P2Y1 RECEPTOR IN COMPLEX WITH BPTU HOMO SAPIENS, CLOSTRIDIUM PASTEURIANUMORGANISM_COMMON: HUMAN HUMAN P2Y1 RECEPTOR G PROTEIN COUPLED RECEPTOR PLATELET ACMEMBRANE PROTEIN INHIBITOR COMPLEX TRANSPORT PROTEIN-INHICOMPLEX PSI-BIOLOGY STRUCTURAL GENOMICS GPCR NETWORK GP
Ref.: TWO DISPARATE LIGAND-BINDING SITES IN THE HUMAN P2Y RECEPTOR NATURE V. 520 317 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
Y01 A:1103;
A:1104;
A:1105;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
486.726 C31 H50 O4 CC(C)...
1PE A:1114;
 Invalid;
 none;
 submit data
238.278 C10 H22 O6 C(COC...
OLC A:1113;
A:1110;
A:1109;
A:1108;
A:1112;
A:1111;
A:1107;
A:1106;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
ZN A:1115;
 Invalid;
 none;
 submit data
65.409 Zn [Zn+2...
CLR A:1102;
 Invalid;
 none;
 submit data
386.654 C27 H46 O CC(C)...
BUR A:1101;
 Valid;
 none;
 Ki = 161 nM
445.434 C23 H22 F3 N3 O3 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XNV 2.2 Å NON-ENZYME: OTHER THE HUMAN P2Y1 RECEPTOR IN COMPLEX WITH BPTU HOMO SAPIENS, CLOSTRIDIUM PASTEURIANUMORGANISM_COMMON: HUMAN HUMAN P2Y1 RECEPTOR G PROTEIN COUPLED RECEPTOR PLATELET ACMEMBRANE PROTEIN INHIBITOR COMPLEX TRANSPORT PROTEIN-INHICOMPLEX PSI-BIOLOGY STRUCTURAL GENOMICS GPCR NETWORK GP
Ref.: TWO DISPARATE LIGAND-BINDING SITES IN THE HUMAN P2Y RECEPTOR NATURE V. 520 317 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4XNV Ki = 161 nM BUR C23 H22 F3 N3 O3 CC(C)(C)c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4XNV Ki = 161 nM BUR C23 H22 F3 N3 O3 CC(C)(C)c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4XNV Ki = 161 nM BUR C23 H22 F3 N3 O3 CC(C)(C)c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BUR; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BUR 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: BUR; 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 : 4XNV; Ligand: BUR; 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: 4xnv.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback