Receptor
PDB id Resolution Class Description Source Keywords
1FYN 2.3 Å EC: 2.7.1.112 PHOSPHOTRANSFERASE HOMO SAPIENS PROTO-ONCOGENE TRANSFERASE TYROSINE-PROTEIN KINASE PHOSPHORYLATION ATP-BINDING MYRISTYLATION SH3 DOMAIN COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE)
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES OF TYROSINE KINASE SH3 DOMAINS COMPLEXED WITH PROLINE-RICH PEPTIDES. NAT.STRUCT.BIOL. V. 1 546 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO B:1;
Valid;
none;
submit data
1005.18 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FYN 2.3 Å EC: 2.7.1.112 PHOSPHOTRANSFERASE HOMO SAPIENS PROTO-ONCOGENE TRANSFERASE TYROSINE-PROTEIN KINASE PHOSPHORYLATION ATP-BINDING MYRISTYLATION SH3 DOMAIN COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE)
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES OF TYROSINE KINASE SH3 DOMAINS COMPLEXED WITH PROLINE-RICH PEPTIDES. NAT.STRUCT.BIOL. V. 1 546 1994
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
2 4HXJ Kd = 74.3 uM ARG GLY THR n/a n/a
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 2O9V Kd = 288 uM VAL PRO PRO PRO VAL PRO PRO PRO PRO SER n/a n/a
2 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL n/a n/a
3 1CKB Kd = 5.2 uM PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG n/a n/a
4 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
5 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
6 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
7 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
8 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
9 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
10 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
11 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
12 3THK - PRO PRO PRO VAL PRO PRO TYR SER ALA GLY n/a n/a
13 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
14 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
15 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
16 4HXJ Kd = 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 1 1
2 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.472868 0.818182
3 GLN ASN TYR PRO ILE VAL GLN 0.463768 0.846154
4 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.458333 0.904762
5 ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO 0.449275 0.933333
6 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.446667 0.865672
7 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.442953 0.846154
8 TYR PRO TYR 0.442478 0.85
9 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.44 0.904762
10 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.436975 0.836066
11 LYS THR PHE PRO PRO THR GLU PRO LYS 0.426667 0.870968
12 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.422619 0.756757
13 ARG VAL SER PRO SER THR SER TYR THR PRO 0.422222 0.873016
14 01B PRO PRO ALA NH2 0.421488 0.819672
15 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.421053 0.873016
16 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.418919 0.84375
17 VAL TYR PRO IAS HIS ALA 0.414966 0.859375
18 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.412903 0.835821
19 SER SER PHE TYR PRO SEP ALA GLU GLY 0.412162 0.760563
20 LEU PHE GLY TYR PRO VAL TYR VAL 0.412162 0.873016
21 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.411765 0.825397
22 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.410959 0.920635
23 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.409396 0.808824
24 THR PRO PRO SER PRO PHE 0.407692 0.854839
25 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.406667 0.823529
26 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.405405 0.863636
27 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.405063 0.875
28 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.403974 0.887097
29 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.403614 0.838235
30 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.40146 0.883333
31 ACE PRO ALA PRO TYR 0.4 0.949153
Similar Binding Sites (Proteins are less than 50% similar to leader)
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