Receptor
PDB id Resolution Class Description Source Keywords
2PRG 2.3 Å EC: 2.3.1.48 LIGAND-BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA HOMO SAPIENS COMPLEX (THIAZOLIDINEDIONE/RECEPTOR) LIGAND-BINDING DOMAINNUCLEAR RECEPTOR APO TRANSCRIPTION FACTOR ORPHAN RECEPTO
Ref.: LIGAND BINDING AND CO-ACTIVATOR ASSEMBLY OF THE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-GAMMA. NATURE V. 395 137 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BRL A:1;
B:2;
Valid;
Valid;
none;
none;
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357.427 C18 H19 N3 O3 S CN(CC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PRG 2.3 Å EC: 2.3.1.48 LIGAND-BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA HOMO SAPIENS COMPLEX (THIAZOLIDINEDIONE/RECEPTOR) LIGAND-BINDING DOMAINNUCLEAR RECEPTOR APO TRANSCRIPTION FACTOR ORPHAN RECEPTO
Ref.: LIGAND BINDING AND CO-ACTIVATOR ASSEMBLY OF THE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-GAMMA. NATURE V. 395 137 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 2PRG - BRL C18 H19 N3 O3 S CN(CCOc1cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 2PRG - BRL C18 H19 N3 O3 S CN(CCOc1cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 2PRG - BRL C18 H19 N3 O3 S CN(CCOc1cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BRL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RGZ 1 1
2 BRL 1 1
3 P1B 0.5 0.765625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PRG; Ligand: BRL; Similar sites found: 131
This union binding pocket(no: 1) in the query (biounit: 2prg.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.006244 0.42684 None
2 3WV1 WHH 0.03005 0.40257 1.16959
3 3WYJ H78 0.004138 0.4578 1.18577
4 2W3L DRO 0.02119 0.4041 2.08333
5 3B6C SDN 0.002674 0.44798 2.5641
6 3HP9 CF1 0.01269 0.4183 2.58303
7 1GHE ACO 0.009858 0.40389 2.82486
8 2WPX ACO 0.007546 0.40216 2.95203
9 3IA4 MTX 0.01089 0.40412 3.08642
10 5CSD ACD 0.01893 0.4048 3.14465
11 5IR4 ZPE 0.01847 0.41111 3.40909
12 4WGF HX2 0.01119 0.41079 3.41463
13 3W54 RNB 0.004642 0.40944 3.69004
14 1CM0 COA 0.01042 0.40116 4.16667
15 4MNS 2AX 0.01678 0.41739 4.40252
16 4ZBR NPS 0.008941 0.41555 4.79705
17 4ZBR DIF 0.009493 0.41555 4.79705
18 1YKI NFZ 0.02013 0.40248 5.52995
19 4DXJ IPE 0.01576 0.40409 5.53506
20 4DXJ 0M9 0.01592 0.40143 5.53506
21 3AQT RCO 0.00589 0.43551 5.68182
22 3ITJ CIT 0.03936 0.41246 5.68182
23 2Q8H TF4 0.01246 0.40534 5.68182
24 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.001583 0.47779 5.90406
25 2Q2Y ADP 0.01874 0.40802 6.64207
26 2Q2Y MKR 0.01787 0.40802 6.64207
27 2V57 PRL 0.006449 0.43441 6.81818
28 5B4B LP5 0.007594 0.41627 6.81818
29 5DY5 5GR 0.03465 0.41012 6.81818
30 1XX4 BAM 0.008789 0.42241 6.89655
31 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.03733 0.41026 7.01107
32 2UUU PL3 0.03122 0.40852 7.01107
33 1P0H ACO 0.04922 0.40354 7.01107
34 4NB5 2JT 0.005329 0.40058 7.01754
35 1XQP 8HG 0.0098 0.41038 7.03125
36 1U72 NDP 0.04067 0.40139 7.52688
37 3V49 PK0 0.001148 0.40088 7.89474
38 1TV5 N8E 0.006187 0.4439 7.95455
39 4ORM 2V6 0.02123 0.42211 7.95455
40 4ORM FMN 0.02123 0.42211 7.95455
41 4ORM ORO 0.02123 0.42211 7.95455
42 4IA6 EIC 0.01476 0.41762 7.95455
43 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01881 0.41203 7.95455
44 3LDW ZOL 0.01323 0.40762 7.95455
45 3IX9 MTX 0.006798 0.4022 7.95455
46 1M2Z DEX 0.000143 0.4578 8.17121
47 1M2Z BOG 0.009211 0.42756 8.17121
48 4P6X HCY 0.0001312 0.48174 8.23529
49 4P6W MOF 0.0004132 0.42491 8.33333
50 3RY9 1CA 0.0001179 0.47899 8.4
51 5L7G 6QE 0.00001421 0.52918 8.48709
52 4UDB CV7 0.00002335 0.45541 8.48709
53 5AAV GW5 0.000009693 0.5814 8.73016
54 1UO5 PIH 0.02728 0.40361 8.82353
55 2QE4 JJ3 0.00004443 0.5458 8.87097
56 2XN5 FUN 0.006528 0.41887 9.09091
57 2Q1H AS4 0.0001135 0.48218 9.6
58 4E2J MOF 0.00007082 0.45363 9.6
59 3GN8 DEX 0.00007051 0.46966 9.63855
60 5UFS 1TA 0.0001812 0.43757 9.67742
61 3KO0 TFP 0.00234 0.45455 9.90099
62 1NF8 BOG 0.01826 0.41483 10.1449
63 4LWU 20U 0.002041 0.43356 10.2273
64 4JD3 COA 0.01352 0.41764 10.2273
65 2ZPA ACO 0.007799 0.40685 10.2273
66 2CB8 MYA 0.01673 0.41071 10.3448
67 4HBM 0Y7 0.009979 0.40203 10.8333
68 5U98 1KX 0.02687 0.41379 11.1111
69 4LSJ LSJ 0.0001581 0.48037 11.3636
70 5G5W R8C 0.000007193 0.46187 11.3636
71 2BJ4 OHT 0.0001354 0.45818 11.3636
72 3TDC 0EU 0.0009726 0.42731 11.3636
73 1H9G COA MYR 0.004166 0.42542 11.3636
74 5EW9 5VC 0.04994 0.41688 11.3636
75 2YLD CMO 0.0172 0.4133 11.3636
76 4FHT DHB 0.001272 0.46926 11.465
77 1XVB 3BR 0.01109 0.4078 11.8081
78 2P1C GG3 0.0104 0.40998 12.1771
79 1SR7 MOF 0.00002024 0.53807 12.5
80 2HHP FLC 0.0009801 0.5146 12.5
81 4OAR 2S0 0.001149 0.42227 12.5
82 3G5N PB2 0.03396 0.41826 12.5
83 1GVE CIT 0.02204 0.40545 12.5
84 4DOL PLM 0.006133 0.40415 12.5
85 1NHZ 486 0.001998 0.40232 12.5
86 4B7P 9UN 0.03255 0.40168 12.5
87 5IF4 6AK 0.01177 0.41562 12.5786
88 1RL4 BL5 0.007097 0.41387 13.2979
89 1RL4 BRR 0.01531 0.40518 13.2979
90 3EYK EYK 0.009231 0.42785 13.3721
91 4OAS 2SW 0.002039 0.43357 13.5417
92 5N7O 69Y 0.002852 0.41867 13.6364
93 4IGH 1EA 0.03534 0.41147 13.6364
94 4IGH ORO 0.03534 0.41147 13.6364
95 4IGH FMN 0.03534 0.41147 13.6364
96 3NUG NAD 0.01893 0.40038 13.6364
97 3N7S 3N7 0.03044 0.40234 14.7727
98 4H07 IPH 0.01214 0.40686 15.5844
99 4V3I ASP LEU THR ARG PRO 0.01141 0.42318 15.9091
100 3HRD FAD 0.02852 0.40197 15.9091
101 1Q3A NGH 0.01134 0.41163 16.9697
102 5LWY OLB 0.009433 0.40315 17.0455
103 5L2J 70E 0.03852 0.41014 18.1818
104 5L2J 6UL 0.03656 0.41014 18.1818
105 5U5G NAP 0.01138 0.40817 18.1818
106 2V5E SCR 0.02968 0.40469 18.1818
107 4J26 EST 0.0003363 0.47478 20.4545
108 2VWA PTY 0.01217 0.43163 20.7921
109 1ATL 0QI 0.009301 0.40342 23.8636
110 4AIG FLX 0.008261 0.41395 25
111 1YOK P6L 0.002063 0.45018 26.9531
112 5UNJ RJW 0.002508 0.41668 28.1633
113 3FS1 MYR 0.004386 0.41434 34.3478
114 2E2R 2OH 0.0001982 0.4966 35.2459
115 3KFC 61X 0.0000903 0.40373 35.9684
116 1ZDT PEF 0.002917 0.43248 36.9295
117 1YMT DR9 0.002251 0.43912 36.9919
118 1DB1 VDX 0.000365 0.48139 37.4517
119 2LBD REA 0.005841 0.41572 37.4532
120 3VRV YSD 0.0004889 0.49202 38.0074
121 3FAL REA 0.0003367 0.46927 39.8496
122 5APK 76E 0.005307 0.42205 40.3774
123 5NTW 98N 0.0008064 0.46254 40.4669
124 5X8Q 82R 0.008007 0.40634 40.6977
125 5K13 6Q7 0.001173 0.44173 41.0569
126 5GIC DLC 0.01515 0.40242 41.2
127 4S15 4D8 0.001117 0.41879 41.6667
128 5IXK 6EW 0.002628 0.40826 41.6667
129 4ZOM 4Q3 0.002107 0.41953 42.2222
130 1DKF BMS 0.0005665 0.42317 42.9787
131 1DKF OLA 0.01026 0.40149 42.9787
Pocket No.: 2; Query (leader) PDB : 2PRG; Ligand: BRL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2prg.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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