Receptor
PDB id Resolution Class Description Source Keywords
3IQ7 2 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN HASPIN IN COMPLEX WITH 5-IODOTUBE HOMO SAPIENS HASPIN GERM CELL ASSOCIATED 2 HAPLOID GERM CELL SPECIFIC NPROTEIN KINASE SGC STRUCTURAL GENOMICS CONSORTIUM ATP-BICELL CYCLE CHROMATIN REGULATOR KINASE MAGNESIUM NUCLEOTBINDING NUCLEUS PHOSPHOPROTEIN SERINE/THREONINE-PROTEIN TRANSFERASE
Ref.: STRUCTURE AND FUNCTIONAL CHARACTERIZATION OF THE AT HUMAN KINASE HASPIN. PROC.NATL.ACAD.SCI.USA V. 106 20198 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5ID A:799;
Valid;
none;
submit data
392.15 C11 H13 I N4 O4 c1c(c...
EDO A:2;
A:801;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
IOD A:800;
Invalid;
none;
submit data
126.904 I [I-]
PO4 A: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
5HTC 1.5 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HASPIN (GSG2) IN COMPLEX WITH BISUBSTRA INHIBITOR ARC-3372 HOMO SAPIENS TRANSFERASE KINASE INHIBITOR ALLOSTERIC STRUCTURAL GENOMCONSORTIUM (SGC) TRANSFERASE-TRANSFERASE INHIBITOR COMPLEXBISUBSTRATE INHIBITOR
Ref.: CO-CRYSTAL STRUCTURES OF THE PROTEIN KINASE HASPIN BISUBSTRATE INHIBITORS. ACTA CRYSTALLOGR.,SECT.F V. 72 339 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 5HTB Kd = 170 nM ALA ARG LYS LYS GLN THR 66N 6L5 n/a n/a
2 3IQ7 - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
3 5HTC Kd = 150 nM ALA ARG LYS LYS GLN THR 66N 66M n/a n/a
4 3DLZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 4QTC Kd = 0.297 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
6 2VUW - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 5HTB Kd = 170 nM ALA ARG LYS LYS GLN THR 66N 6L5 n/a n/a
2 3IQ7 - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
3 5HTC Kd = 150 nM ALA ARG LYS LYS GLN THR 66N 66M n/a n/a
4 3DLZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 4QTC Kd = 0.297 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
6 2VUW - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 5HTB Kd = 170 nM ALA ARG LYS LYS GLN THR 66N 6L5 n/a n/a
2 3IQ7 - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
3 5HTC Kd = 150 nM ALA ARG LYS LYS GLN THR 66N 66M n/a n/a
4 3DLZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 4QTC Kd = 0.297 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
6 2VUW - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5ID; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 5ID 1 1
2 5I5 0.672414 0.861538
3 TO1 0.612903 0.909091
4 HO4 0.603175 0.909091
5 SGV 0.59375 0.923077
6 RAB 0.454545 0.923077
7 ADN 0.454545 0.923077
8 TBN 0.454545 0.9375
9 XYA 0.454545 0.923077
10 ZJB 0.447368 0.821918
11 AD3 0.402778 0.923077
Similar Binding Sites (Proteins are less than 50% similar to leader)
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