Receptor
PDB id Resolution Class Description Source Keywords
4WUA 2 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF HUMAN SRPK1 COMPLEXED TO AN INHIBITOR S HOMO SAPIENS PROTEIN KINASE KINASE-INHIBITOR COMPLEX PRE-MRNA SPLICINGBINDING TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: IDENTIFICATION OF A DUAL INHIBITOR OF SRPK1 AND CK2 ATTENUATES PATHOLOGICAL ANGIOGENESIS OF MACULAR DEG IN MICE MOL.PHARMACOL. V. 88 316 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3UL A:701;
 Valid;
 none;
 submit data
349.35 C18 H18 F3 N3 O c1cc(...
CIT A:702;
 Invalid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MY8 1.7 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF SRPK1 IN COMPLEX WITH SPHINX31 HOMO SAPIENS TRANSFERASE SPLICING KINASE INHIBITOR STRUCTURAL GENOMICSSTRUCTURAL GENOMICS CONSORTIUM SGC
Ref.: DEVELOPMENT OF POTENT, SELECTIVE SRPK1 INHIBITORS A POTENTIAL TOPICAL THERAPEUTICS FOR NEOVASCULAR EYE ACS CHEM. BIOL. V. 12 825 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 5MXX ic50 = 31 nM W4A C18 H20 F3 N3 O2 Cc1ccc(o1)....
2 1WBP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 5XV7 ic50 = 11 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
4 5MY8 Kd = 72 nM RXZ C27 H24 F3 N5 O2 c1ccnc(c1)....
5 4WUA - 3UL C18 H18 F3 N3 O c1cc(c(cc1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5MXX ic50 = 31 nM W4A C18 H20 F3 N3 O2 Cc1ccc(o1)....
2 1WBP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 5XV7 ic50 = 11 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
4 5MY8 Kd = 72 nM RXZ C27 H24 F3 N5 O2 c1ccnc(c1)....
5 4WUA - 3UL C18 H18 F3 N3 O c1cc(c(cc1....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 5MXX ic50 = 31 nM W4A C18 H20 F3 N3 O2 Cc1ccc(o1)....
2 1WBP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 5XV7 ic50 = 11 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
4 5MY8 Kd = 72 nM RXZ C27 H24 F3 N5 O2 c1ccnc(c1)....
5 4WUA - 3UL C18 H18 F3 N3 O c1cc(c(cc1....
6 1Q99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 2JD5 - ARG GLU ARG SER PRO THR ARG n/a n/a
8 1Q8Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1Q97 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3UL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 3UL 1 1
2 RXZ 0.453608 0.824561
3 W4A 0.439024 0.754098
Similar Ligands (3D)
Ligand no: 1; Ligand: 3UL; Similar ligands found: 7
No: Ligand Similarity coefficient
1 IR1 0.9250
2 5CN 0.8948
3 IQ1 0.8715
4 FQW 0.8700
5 UIH 0.8668
6 9F9 0.8663
7 LF1 0.8663
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MY8; Ligand: RXZ; 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: 5my8.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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