Receptor
PDB id Resolution Class Description Source Keywords
2J6O 2.23 Å NON-ENZYME: OTHER ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 D CMS:CD2 HETEROTRIMER HOMO SAPIENS PHOSPHORYLATION ADAPTOR PROTEIN EGFR DOWNREGULATION CMS DOMAIN SH3-BINDING COILED COIL SH3 DOMAIN RECOGNITION SPROTEIN PROTEIN BINDING
Ref.: ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMI DOMAIN. J.BIOL.CHEM. V. 281 38845 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL C:327;
Valid;
none;
Kd ~ 100 uM
821.062 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J6O 2.23 Å NON-ENZYME: OTHER ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 D CMS:CD2 HETEROTRIMER HOMO SAPIENS PHOSPHORYLATION ADAPTOR PROTEIN EGFR DOWNREGULATION CMS DOMAIN SH3-BINDING COILED COIL SH3 DOMAIN RECOGNITION SPROTEIN PROTEIN BINDING
Ref.: ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMI DOMAIN. J.BIOL.CHEM. V. 281 38845 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 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: LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 1 1
2 SER PRO ARG LEU PRO LEU LEU GLU SER 0.694444 0.982759
3 PRO PRO LYS LYS LYS ARG LYS VAL 0.633027 0.965517
4 ARG PRO LYS PRO LEU VAL ASP PRO 0.612613 1
5 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.554688 0.920635
6 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.521008 0.982759
7 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.510204 0.852941
8 PRO GLY PRO LEU PRO ALA 0.473684 0.819672
9 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.471831 0.814286
10 DPN PRO DAR DTH NH2 0.46281 0.8
11 DPN PRO DAR ILE NH2 0.46281 0.885246
12 SER PRO SER PRO SER PRO SER PRO SER PRO 0.462264 0.746032
13 LEU PRO PRO GLU GLU ARG LEU ILE 0.461538 0.919355
14 PRO PRO LYS ARG ILE ALA 0.457364 0.918033
15 ARG THR PRO SEP LEU PRO THR 0.455224 0.828571
16 GLY PRO ARG PRO 0.453704 0.898305
17 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.45082 0.870968
18 DPN PRO DAR CYS NH2 0.45 0.836066
19 LEU ASP PRO ARG 0.449153 0.870968
20 ARG PRO PRO LYS PRO ARG PRO ARG 0.448 0.913793
21 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.44697 0.861538
22 ARG THR PRO SEP LEU PRO THR 49F 0.442953 0.773333
23 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.442857 0.892308
24 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.442748 0.777778
25 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.442029 0.920635
26 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.440298 0.846154
27 ACE ARG THR PRO SEP LEU PRO THR PIP 0.438849 0.783784
28 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.435484 0.915254
29 THR PRO ARG ARG SER MLZ SER ALA 0.434109 0.811594
30 SER PRO LYS ARG ILE ALA 0.434109 0.846154
31 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.432836 0.888889
32 ALA PRO ASP THR ARG PRO ALA PRO NGA 0.43125 0.746667
33 NGA ALA PRO ASP THR ARG PRO ALA PRO 0.43125 0.746667
34 PHE ASN ARG PRO VAL 0.426357 0.818182
35 ARG PRO LYS ARG ILE ALA 0.426357 0.918033
36 DPN PRO ARG 0.426087 0.806452
37 LYS PRO VAL LEU ARG THR ALA 0.425373 0.861538
38 ASN ARG PRO ILE LEU SER LEU 0.425373 0.823529
39 PRO SER ILE ASP ARG SER THR LYS PRO 0.424658 0.838235
40 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.424242 0.888889
41 THR LYS PRO ARG 0.423423 0.85
42 ALA MET ALA PRO ARG THR LEU LEU LEU 0.423358 0.8
43 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.422535 0.892308
44 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.422222 0.716418
45 ARG ARG ALA SEP ALA PRO LEU PRO 0.421429 0.84058
46 5JP PRO LYS ARG ILE ALA 0.421053 0.820895
47 PRO THR PRO SER ALA PRO VAL PRO LEU 0.420635 0.761194
48 ALA PRO ASP THR ARG PRO ALA PRO 0.419847 0.835821
49 ALA PRO ASP THR ARG PRO 0.418605 0.835821
50 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.41791 0.862069
51 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.417266 0.835821
52 VAL PRO LEU ARG PRO MET THR TYR 0.416107 0.794521
53 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.414815 0.822581
54 SER HIS PRO ARG PRO ILE ARG VAL 0.413793 0.84058
55 SER SER TYR ARG ARG PRO VAL GLY ILE 0.413333 0.816901
56 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.412587 0.8
57 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.412162 0.920635
58 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.411765 0.827586
59 SER ALA PRO ASP THR ARG PRO ALA 0.411765 0.823529
60 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.409722 0.878788
61 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.409396 0.890625
62 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.408 0.850746
63 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.405405 0.838235
64 TYR PRO LYS ARG ILE ALA 0.404255 0.835821
65 PHE PRO ARG 0.401709 0.833333
66 ARG ARG ARG GLU ARG SER PRO THR ARG 0.40146 0.80597
67 HIS HIS ALA SER PRO ARG LYS 0.401361 0.80597
Similar Binding Sites (Proteins are less than 50% similar to leader)
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