Receptor
PDB id Resolution Class Description Source Keywords
3JUT 2.25 Å NON-ENZYME: BINDING ACIDIC FIBROBLAST GROWTH FACTOR (FGF-1) COMPLEXED WITH GENTI HOMO SAPIENS GROWTH FACTOR FGF-1 INHIBITORS ANGIOGENESIS DEVELOPMENTALDIFFERENTIATION HEPARIN-BINDING MITOGEN HORMONE
Ref.: GENTISIC ACID, A COMPOUND ASSOCIATED WITH PLANT DEF A METABOLITE OF ASPIRIN, HEADS A NEW CLASS OF IN VI FIBROBLAST GROWTH FACTOR INHIBITORS. J.BIOL.CHEM. V. 285 11714 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTQ A:131;
B:131;
Valid;
Valid;
none;
none;
submit data
154.12 C7 H6 O4 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3JUT 2.25 Å NON-ENZYME: BINDING ACIDIC FIBROBLAST GROWTH FACTOR (FGF-1) COMPLEXED WITH GENTI HOMO SAPIENS GROWTH FACTOR FGF-1 INHIBITORS ANGIOGENESIS DEVELOPMENTALDIFFERENTIATION HEPARIN-BINDING MITOGEN HORMONE
Ref.: GENTISIC ACID, A COMPOUND ASSOCIATED WITH PLANT DEF A METABOLITE OF ASPIRIN, HEADS A NEW CLASS OF IN VI FIBROBLAST GROWTH FACTOR INHIBITORS. J.BIOL.CHEM. V. 285 11714 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3JUT - GTQ C7 H6 O4 c1cc(c(cc1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1HKN - N2M C10 H9 N O3 S c1cc2cc(cc....
2 2UUS - SCR C12 H22 O35 S8 C([C@@H]1[....
3 3K1X - DBX C6 H6 O5 S c1cc(c(cc1....
4 3JUT - GTQ C7 H6 O4 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 272 families.
1 1HKN - N2M C10 H9 N O3 S c1cc2cc(cc....
2 2UUS - SCR C12 H22 O35 S8 C([C@@H]1[....
3 3K1X - DBX C6 H6 O5 S c1cc(c(cc1....
4 3JUT - GTQ C7 H6 O4 c1cc(c(cc1....
5 1BFC - SGN IDS UAP SGN IDS SGN n/a n/a
6 1BFB - SGN IDS UAP SGN n/a n/a
7 4OEE Kd = 1.73 uM GNX IDY n/a n/a
8 4OEG Kd = 9.01 uM SUS IDY n/a n/a
9 4OEF Kd = 17.5 uM SGN IDY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTQ; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GTQ 1 1
2 DOB 0.5 1
3 54G 0.485714 0.909091
4 3R6 0.435897 0.740741
5 BIK 0.428571 0.875
6 SAL 0.411765 0.952381
7 OMD 0.4 0.730769
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3JUT; Ligand: GTQ; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 3jut.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HRA DAS 0.003554 0.4274 None
2 5DX8 SFG 0.03299 0.41248 None
3 1LSS NAD 0.01813 0.40801 None
4 5DX1 SFG 0.03807 0.40719 None
5 1OJ4 ANP 0.04159 0.40162 None
6 4KRG SAH 0.009834 0.45516 1.53846
7 5L4L NAP 0.0298 0.42788 2.30769
8 5L4L 7OX 0.04731 0.42788 2.30769
9 2X06 NAD 0.0027 0.47409 3.84615
10 1RKX NAD 0.01073 0.47362 3.84615
11 1HV6 MAW MAV GCU 0.01731 0.40818 3.84615
12 3G2O SAM 0.02171 0.4067 3.84615
13 2EXX NAP 0.01241 0.45303 4.61538
14 3GWZ SAH 0.01416 0.42943 4.61538
15 5KXQ GDP 0.01143 0.40749 4.61538
16 2Q46 NAP 0.01023 0.44715 5.38462
17 1Z2I NAD 0.004246 0.4592 6.15385
18 3CH6 NAP 0.03115 0.44149 6.15385
19 3CH6 311 0.03115 0.44149 6.15385
20 3A9Y CYS 0.002527 0.42233 6.15385
21 1EYN 2AN 0.01515 0.44265 6.92308
22 4K26 NDP 0.006325 0.42585 6.92308
23 1QZZ SAM 0.01595 0.41696 6.92308
24 5DYO FLU 0.008464 0.40061 6.92308
25 1VPE ANP 0.0464 0.41435 7.69231
26 3GGO ENO 0.01268 0.44059 8.46154
27 3GGO NAI 0.01268 0.44059 8.46154
28 3SIX GDP 0.006961 0.4325 8.46154
29 1UP7 NAD 0.0187 0.41754 8.46154
30 3TKY SAH 0.02627 0.40443 8.46154
31 4O67 1SY 0.008049 0.44192 10
32 4JE7 BB2 0.01613 0.4119 11.5385
33 2B96 ANN 0.005597 0.41118 12.1951
34 1C96 FLC 0.007061 0.40185 15.3846
35 3S1S SAH 0.012 0.41042 22.3077
36 2DJH 3PD UM3 0.02696 0.40327 22.6087
Pocket No.: 2; Query (leader) PDB : 3JUT; Ligand: GTQ; Similar sites found: 23
This union binding pocket(no: 2) in the query (biounit: 3jut.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3M6P BB2 0.009694 0.42678 None
2 4R6W SAH 0.009225 0.42042 None
3 2DX7 CIT 0.01346 0.43122 2.30769
4 5F5N NAD 0.0169 0.42443 3.07692
5 1VE3 SAM 0.0206 0.41437 3.07692
6 1RL4 BRR 0.004765 0.43903 3.84615
7 1ORR NAD 0.02391 0.42212 3.84615
8 1S17 GNR 0.02054 0.40985 3.84615
9 4LY9 S6P 0.02449 0.41918 4.61538
10 4LY9 1YY 0.02516 0.41918 4.61538
11 5KY9 GDP 0.01376 0.40162 4.61538
12 2JFZ 003 0.01534 0.41313 5.38462
13 1XS1 DUT 0.03965 0.41218 5.38462
14 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.01589 0.40964 5.38462
15 3ZLB ANP 0.04544 0.40118 6.15385
16 1XSE NDP 0.02565 0.43426 6.92308
17 5MGZ SAH 0.0155 0.43604 7.69231
18 5FJN BE2 0.02443 0.41101 7.69231
19 5FJN FAD 0.02248 0.41101 7.69231
20 4LOC BTN 0.02504 0.43432 8.46154
21 4XTX 590 0.04328 0.40085 9.23077
22 4ANW O92 0.01307 0.41924 16.1538
23 2GCE RFC 0.02819 0.42028 26.1538
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