Receptor
PDB id Resolution Class Description Source Keywords
3GYT 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE NUCLEAR RECEPTOR DAF-12 FROM PARASITIC NEMATODE STRONGYLOIDES STERCORALIS IN COMPLEX WITH ITS PHYSIOLOGICALL IGAND DAFACHRONIC ACID DELTA 4 STRONGYLOIDES STERCORALIS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN DAFACHRONIC ACID SRC1 NEMATODE STRONGYLOIDES STERCORALIS DNA-BINDING METAL-BINDING NUCLEUS RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: IDENTIFICATION OF THE NUCLEAR RECEPTOR DAF-12 AS A THERAPEUTIC TARGET IN PARASITIC NEMATODES. PROC.NATL.ACAD.SCI.USA V. 106 9138 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DL4 A:100;
Valid;
none;
submit data
414.621 C27 H42 O3 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GYT 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE NUCLEAR RECEPTOR DAF-12 FROM PARASITIC NEMATODE STRONGYLOIDES STERCORALIS IN COMPLEX WITH ITS PHYSIOLOGICALL IGAND DAFACHRONIC ACID DELTA 4 STRONGYLOIDES STERCORALIS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN DAFACHRONIC ACID SRC1 NEMATODE STRONGYLOIDES STERCORALIS DNA-BINDING METAL-BINDING NUCLEUS RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: IDENTIFICATION OF THE NUCLEAR RECEPTOR DAF-12 AS A THERAPEUTIC TARGET IN PARASITIC NEMATODES. PROC.NATL.ACAD.SCI.USA V. 106 9138 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DL4; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DL4 1 1
2 K2B 0.8 0.775
3 3G6 0.695122 0.923077
4 XCA 0.556701 0.926829
5 1CA 0.544444 0.837209
6 TH2 0.542553 0.926829
7 FFA 0.541176 0.85
8 TES 0.541176 0.85
9 STR 0.54023 0.794872
10 Y01 0.445455 0.904762
11 ASD 0.426966 0.794872
12 CLR 0.407767 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GYT; Ligand: DL4; Similar sites found: 102
This union binding pocket(no: 1) in the query (biounit: 3gyt.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L0I PSR 0.01002 0.41916 None
2 4LBP 1WG 0.01821 0.40985 2
3 2VDY HCY 0.02025 0.41221 2.04918
4 3DSK T25 0.006607 0.42759 2.45902
5 2FDW D3G 0.01129 0.4204 2.45902
6 4XB4 45D 0.001531 0.4168 2.63158
7 3GN8 DEX 0.001335 0.43486 2.86885
8 5UFS 1TA 0.001051 0.43179 2.86885
9 4E2J MOF 0.001216 0.42918 2.86885
10 4IGH FMN 0.03102 0.40141 2.86885
11 4IGH ORO 0.03102 0.40141 2.86885
12 4IGH 1EA 0.03102 0.40141 2.86885
13 4URN NOV 0.01969 0.41239 3.11111
14 5HCV 60R 0.0005139 0.45271 3.27869
15 2Q1H AS4 0.0007592 0.41642 3.27869
16 4HY1 19X 0.01359 0.40817 3.33333
17 1S14 NOV 0.02146 0.41044 3.60825
18 2Q4X HMH 0.007331 0.43838 3.61991
19 1SR7 MOF 0.002069 0.42698 4.09836
20 4OAR 2S0 0.001037 0.41607 4.09836
21 1TV5 N8E 0.01858 0.41372 4.09836
22 5LX9 OLB 0.009303 0.41222 4.09836
23 3L0E G58 0.000009926 0.51678 4.5082
24 3RY9 1CA 0.0007124 0.45517 4.5082
25 4DK7 0KS 0.001304 0.43925 4.5082
26 5UI2 EQ3 0.009605 0.40132 4.5082
27 1NF8 BOG 0.003517 0.46017 4.83092
28 4P6W MOF 0.004133 0.4072 4.91803
29 4P6X HCY 0.001792 0.40676 4.91803
30 3D78 NBB 0.008231 0.40532 5.04202
31 4RW3 SHV 0.03535 0.40542 5.32787
32 4UBS DIF 0.03184 0.40153 6.14754
33 3WBG 2AN 0.004071 0.4291 6.53595
34 3WXL ADP 0.001432 0.48673 6.55738
35 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03122 0.41379 7.82313
36 1XVB 3BR 0.007712 0.42428 8.19672
37 4JD3 COA 0.007599 0.41407 8.19672
38 4OKD GLC GLC GLC 0.02023 0.41438 8.60656
39 2XCM ADP 0.01454 0.40307 9.45946
40 5OCA 9QZ 0.006777 0.45438 9.52381
41 4K7O EKZ 0.03 0.40533 9.52381
42 3B6C SDN 0.01621 0.4168 9.82906
43 3TL1 JRO 0.004399 0.44626 10.0629
44 5U98 1KX 0.007639 0.42544 10.101
45 4DM8 REA 0.0001573 0.45687 11.0656
46 1N46 PFA 0.001133 0.43038 11.4754
47 2R40 20E 0.0004604 0.43681 11.7871
48 3JZB 4HY 0.000823 0.41188 12.7049
49 5UC9 MYR 0.002382 0.45457 12.8319
50 2AX9 BHM 0.007843 0.41153 13.9344
51 4MGD 27N 0.0001397 0.49782 15.1639
52 4MGA 27L 0.0006216 0.49333 15.1639
53 4MG8 27J 0.000365 0.47826 15.1639
54 3UUA 0CZ 0.001004 0.46789 15.1639
55 4MGB XDH 0.00003593 0.45691 15.1639
56 4MG7 27H 0.0000453 0.45443 15.1639
57 3UUD EST 0.00003626 0.44584 15.1639
58 5HYR EST 0.00004808 0.44207 15.1639
59 5DX3 EST 0.00004006 0.44059 15.1639
60 5DXG EST 0.00003653 0.44 15.1639
61 5DXE EST 0.00005696 0.4399 15.1639
62 3UU7 2OH 0.008079 0.43255 15.1639
63 4MG9 27K 0.00003194 0.42206 15.1639
64 4TUZ 36J 0.0003636 0.40639 15.1639
65 1RL4 BL5 0.00392 0.44471 16.3934
66 3KFC 61X 0.00001644 0.51683 17.2131
67 1M2Z DEX 0.002075 0.42662 18.8525
68 4LSJ LSJ 0.0007487 0.42568 18.8525
69 1M2Z BOG 0.0214 0.42369 18.8525
70 5G5W R8C 0.0007955 0.43833 19.2623
71 1NHZ 486 0.001091 0.42321 19.2623
72 1X8D RNS 0.0272 0.40525 22.1154
73 2I0G I0G 0.005359 0.42697 24.1803
74 3KDU NKS 0.01405 0.40671 24.1803
75 1U3R 338 0.0003445 0.42537 24.4813
76 1YYE 196 0.0006603 0.4051 25
77 4J26 EST 0.00004015 0.52974 25.4167
78 3OLL EST 0.0000462 0.44808 25.4167
79 4J24 EST 0.00004382 0.43817 25.4167
80 2YJD YJD 0.0006749 0.40843 25.4167
81 5LGA 6VH 0.00001498 0.52179 26.6393
82 5E7V M7E 0.00004858 0.49199 26.6393
83 4Q0A 4OA 0.00008504 0.49133 26.6393
84 3KMZ EQO 0.000006617 0.52403 28.2787
85 3KMR EQN 0.0001062 0.4871 28.2787
86 5K13 6Q7 0.0007896 0.42415 28.2787
87 1M13 HYF 0.004966 0.411 28.6885
88 3BEJ MUF 0.0001728 0.45566 30.2521
89 2O4J VD4 0.00009793 0.45258 30.3279
90 5GIC DLC 0.0004608 0.45134 30.3279
91 3OKI OKI 0.0007341 0.44605 30.4721
92 3RUU 37G 0.00005787 0.4549 31.441
93 3FUR Z12 0.002109 0.44133 31.5574
94 3G9E RO7 0.004631 0.41477 31.5574
95 4OIV XX9 0.002717 0.43041 31.8584
96 3IPQ 965 0.000003445 0.48181 31.9672
97 3FAL LO2 0.00001343 0.51881 32.2314
98 1RDT L79 0.004809 0.41089 32.2314
99 3DCT 064 0.0003706 0.44849 33.3333
100 3VRV YSD 0.000017 0.53571 37.7049
101 1XIU REA 0.003691 0.42309 37.8261
102 4S15 4D8 0.001356 0.43083 46.1538
Feedback