Receptor
PDB id Resolution Class Description Source Keywords
2J83 2 Å EC: 3.4.24.- ULILYSIN METALLOPROTEASE IN COMPLEX WITH BATIMASTAT. METHANOSARCINA ACETIVORANS HYDROLASE IGFBP PROTEASE METALLOPROTEASE HYDROXAMATE INHICANCER METZINCIN
Ref.: SUBSTRATE SPECIFICITY OF A METALLOPROTEASE OF THE P FAMILY REVEALED BY AN INHIBITOR AND A PRODUCT COMPL ARCH.BIOCHEM.BIOPHYS. V. 457 57 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BAT A:996;
B:996;
Valid;
Valid;
none;
none;
ic50 = 61 uM
477.64 C23 H31 N3 O4 S2 CC(C)...
CA A:997;
A:998;
B:2326;
B:997;
B:998;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL A:1327;
A:1328;
B:1326;
B:1327;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:999;
B:999;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J83 2 Å EC: 3.4.24.- ULILYSIN METALLOPROTEASE IN COMPLEX WITH BATIMASTAT. METHANOSARCINA ACETIVORANS HYDROLASE IGFBP PROTEASE METALLOPROTEASE HYDROXAMATE INHICANCER METZINCIN
Ref.: SUBSTRATE SPECIFICITY OF A METALLOPROTEASE OF THE P FAMILY REVEALED BY AN INHIBITOR AND A PRODUCT COMPL ARCH.BIOCHEM.BIOPHYS. V. 457 57 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2J83 ic50 = 61 uM BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
2 3LUM - ARG VAL n/a n/a
3 3LUN - ARG VAL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2J83 ic50 = 61 uM BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
2 3LUM - ARG VAL n/a n/a
3 3LUN - ARG VAL n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2J83 ic50 = 61 uM BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
2 3LUM - ARG VAL n/a n/a
3 3LUN - ARG VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BAT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BAT 1 1
2 PLH 0.506024 0.767857
Similar Ligands (3D)
Ligand no: 1; Ligand: BAT; 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 : 2J83; Ligand: BAT; 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: 2j83.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2J83; Ligand: BAT; 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: 2j83.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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