Receptor
PDB id Resolution Class Description Source Keywords
1RTF 2.3 Å EC: 3.4.21.68 COMPLEX OF BENZAMIDINE WITH THE CATALYTIC DOMAIN OF HUMAN TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR [(TC)-T-PA] HOMO SAPIENS SERINE PROTEASE FIBRINOLYTIC ENZYMES
Ref.: THE 2.3 A CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF RECOMBINANT TWO-CHAIN HUMAN TISSUE-TYPE PLASMINOGEN ACTIVATOR J.MOL.BIOL. V. 258 117 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEN B:245;
Valid;
none;
submit data
120.152 C7 H8 N2 [H]/N...
PO4 B:1;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RTF 2.3 Å EC: 3.4.21.68 COMPLEX OF BENZAMIDINE WITH THE CATALYTIC DOMAIN OF HUMAN TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR [(TC)-T-PA] HOMO SAPIENS SERINE PROTEASE FIBRINOLYTIC ENZYMES
Ref.: THE 2.3 A CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF RECOMBINANT TWO-CHAIN HUMAN TISSUE-TYPE PLASMINOGEN ACTIVATOR J.MOL.BIOL. V. 258 117 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RTF - BEN C7 H8 N2 [H]/N=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 1 families.
1 1RTF - BEN C7 H8 N2 [H]/N=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 1 families.
1 1RTF - BEN C7 H8 N2 [H]/N=C(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BEN 1 1
2 BAM 0.52 0.941176
3 NTN 0.481481 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RTF; Ligand: BEN; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 1rtf.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1OSS BEN 40.3587
2 2VH6 GSV 47.619
3 1NFU RRP 47.619
4 1TMT DPN PRO ARG 48.0159
5 1EB1 ZAL PRO MMO 48.0159
6 1OYT FSN 48.0159
7 1C4U IH1 48.0159
8 4NFE BEN 49.3671
9 1O5E 132 50
10 1UTJ ABN 50
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