Receptor
PDB id Resolution Class Description Source Keywords
5TWO 1.93 Å NON-ENZYME: SIGNAL_HORMONE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGNAD BIND IN COMPLEX WITH A NOVEL SELECTIVELY PPAR GAMMA-MODULATING L5 1 HOMO SAPIENS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGNAD BINDOMAIN SELECTIVE PPAR GAMMA LIGAND VSP-51 DNA BINDING PRTRANSCRIPTION
Ref.: IDENTIFICATION OF A NOVEL SELECTIVE PPAR GAMMA LIGA UNIQUE BINDING MODE AND IMPROVED THERAPEUTIC PROFIL VITRO. SCI REP V. 7 41487 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7MV A:501;
Valid;
none;
submit data
392.853 C23 H18 Cl F N2 O c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TWO 1.93 Å NON-ENZYME: SIGNAL_HORMONE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGNAD BIND IN COMPLEX WITH A NOVEL SELECTIVELY PPAR GAMMA-MODULATING L5 1 HOMO SAPIENS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGNAD BINDOMAIN SELECTIVE PPAR GAMMA LIGAND VSP-51 DNA BINDING PRTRANSCRIPTION
Ref.: IDENTIFICATION OF A NOVEL SELECTIVE PPAR GAMMA LIGA UNIQUE BINDING MODE AND IMPROVED THERAPEUTIC PROFIL VITRO. SCI REP V. 7 41487 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5TWO - 7MV C23 H18 Cl F N2 O c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 5TWO - 7MV C23 H18 Cl F N2 O c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 5TWO - 7MV C23 H18 Cl F N2 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7MV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7MV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5TWO; Ligand: 7MV; Similar sites found: 107
This union binding pocket(no: 1) in the query (biounit: 5two.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WYJ H78 0.01116 0.42983 1.18577
2 2H7C COA 0.02401 0.4105 1.83824
3 3B6C SDN 0.002437 0.4541 2.5641
4 3HP9 CF1 0.01576 0.41849 2.57353
5 4RW3 SHV 0.01519 0.41195 2.57353
6 3IX9 MTX 0.001793 0.43162 2.63158
7 3QCQ 3Q0 0.01167 0.43792 2.94118
8 3QCP FAD 0.001753 0.43312 2.94118
9 2C6Q NDP 0.01679 0.40884 2.94118
10 3IA4 MTX 0.009633 0.41036 3.08642
11 3ZLR X0B 0.009314 0.41394 3.16456
12 3WJO IPE 0.02659 0.40572 3.30882
13 4WGF HX2 0.004871 0.43559 3.41463
14 5B4B LP5 0.005759 0.41491 3.62903
15 3W54 RNB 0.001506 0.41695 3.67647
16 2C78 PUL 0.03098 0.40383 3.67647
17 2ZFZ ARG 0.04836 0.41361 3.79747
18 4V3I ASP LEU THR ARG PRO 0.02742 0.40645 3.89105
19 4URN NOV 0.00735 0.42958 4
20 2XXP DSL 0.006513 0.44369 4.04412
21 4MNS 2AX 0.006671 0.43015 4.40252
22 3LDW ZOL 0.008719 0.4095 4.41176
23 4ZBR NPS 0.006955 0.41388 4.77941
24 4ZBR DIF 0.00741 0.41388 4.77941
25 3G5N PB2 0.03344 0.41313 4.77941
26 2XMY CDK 0.02511 0.41211 4.77941
27 5VE5 GSH 0.01585 0.40552 5.14706
28 5U5G NAP 0.01154 0.40156 5.14706
29 3LLI FAD 0.003168 0.42348 5.36398
30 4XNV BUR 0.02172 0.40744 5.51471
31 4JD3 COA 0.01664 0.40726 5.51471
32 4JD3 PLM 0.01815 0.40726 5.51471
33 3T58 FAD 0.0107 0.40301 5.51471
34 4DXJ 0M9 0.01193 0.40092 5.51471
35 4DXJ IPE 0.01377 0.40064 5.51471
36 5HCN DAO 0.008001 0.42769 5.74713
37 1X8D RNS 0.00798 0.43038 5.76923
38 5V4R MGT 0.03871 0.40418 6.17284
39 2Q2Y ADP 0.02897 0.41523 6.61765
40 2Q2Y MKR 0.02897 0.41523 6.61765
41 4J7Q B7N 0.01428 0.40336 6.61765
42 5N7O 69Y 0.003494 0.40376 6.78733
43 2V57 PRL 0.00629 0.43863 6.84211
44 1TV5 N8E 0.006877 0.44654 6.98529
45 4ORM ORO 0.0191 0.4185 6.98529
46 4ORM 2V6 0.0191 0.4185 6.98529
47 4ORM FMN 0.0191 0.4185 6.98529
48 4NB5 2JT 0.003009 0.4089 7.01754
49 4LWU 20U 0.001782 0.44039 7.05882
50 1U72 NDP 0.01864 0.41228 7.52688
51 1U72 MTX 0.01864 0.41228 7.52688
52 5L2J 6UL 0.01317 0.42633 8.16327
53 5L2J 70E 0.01397 0.42633 8.16327
54 5HCV 60R 0.00007027 0.48329 8.17121
55 3BQD DAY 0.0001769 0.46853 8.23529
56 2A3I C0R 0.0001031 0.46811 8.3004
57 5ECP ATP 0.007394 0.42161 8.52018
58 5ECP MET 0.01251 0.41208 8.52018
59 5OCA 9QZ 0.01262 0.43691 10.3175
60 4HBM 0Y7 0.01231 0.41333 10.8333
61 2DYR TGL 0.01248 0.40374 11.1111
62 3KP6 SAL 0.02693 0.409 11.9205
63 2P1C GG3 0.007006 0.41115 12.1324
64 4OAS 2SW 0.00202 0.43787 13.5417
65 2Z7I 742 0.009145 0.4359 13.9706
66 3DFR MTX 0.0068 0.41754 14.1975
67 3HRD FAD 0.01523 0.40904 14.3382
68 4X8D AVI 0.03361 0.40259 14.7059
69 4LY9 1YY 0.0133 0.41527 15.4412
70 4LY9 S6P 0.02687 0.40011 15.4412
71 3WHB DCC 0.01596 0.40117 20.1031
72 1YOK P6L 0.001134 0.45419 26.9531
73 1YUC EPH 0.0009379 0.44658 27.0588
74 1G2N EPH 0.004503 0.41212 32.5758
75 5AAV GW5 0.000005226 0.5821 33.3333
76 2QE4 JJ3 0.00005798 0.52958 33.3333
77 3UUA 0CZ 0.000001908 0.49768 33.3333
78 2BJ4 OHT 0.00008795 0.47917 33.3333
79 2QZO KN1 0.0001182 0.47862 33.3333
80 1U3R 338 0.00004478 0.47721 33.3333
81 3UUD EST 0.00002248 0.4736 33.3333
82 1YYE 196 0.00005117 0.45959 33.3333
83 2QA8 GEN 0.00005564 0.45868 33.3333
84 2I0G I0G 0.01008 0.42339 33.3333
85 4DK7 0KS 0.0001325 0.47648 36.0324
86 1ZDT PEF 0.0008051 0.44948 36.5145
87 1M13 HYF 0.0000596 0.5058 36.7647
88 1NRL SRL 0.0003923 0.45171 36.7647
89 1YMT DR9 0.001082 0.44544 36.9919
90 1DB1 VDX 0.0002174 0.48233 37.4517
91 2LBD REA 0.002526 0.42461 37.4532
92 3KMR EQN 0.00165 0.42025 37.9699
93 1XAP TTB 0.002416 0.41831 38.2022
94 4DM8 REA 0.007466 0.40102 38.2022
95 3BEJ MUF 0.000005802 0.53412 39.0756
96 1N83 CLR 0.001666 0.43244 39.2593
97 3DCT 064 0.00001555 0.47705 39.5745
98 4WPF 3SN 0.0009723 0.4124 40.5303
99 3RUU 37G 0.00002423 0.51783 40.6114
100 5ICK FEZ 0.0004179 0.45493 40.6114
101 1FCZ 156 0.001007 0.41584 41.7021
102 1N4H REA 0.002826 0.40542 45.5598
103 4M8E 29V 0.0002533 0.46395 46.6667
104 4POJ 2VP 0.0002325 0.44025 46.6667
105 1DKF BMS 0.0005212 0.43197 46.6667
106 1DKF OLA 0.009344 0.4071 46.6667
107 1FBY REA 0.007556 0.40242 46.6667
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