Receptor
PDB id Resolution Class Description Source Keywords
1qkt 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE MUTANT ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL HOMO SAPIENS NUCLEAR RECEPTOR AGONISM ANTAGONISM STEROID STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF A MUTANT HERALPHA LIGAND- BIND DOMAIN REVEALS KEY STRUCTURAL FEATURES FOR THE MECH PARTIAL AGONISM J.BIOL.CHEM. V. 276 15059 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EST A:600;
Valid;
none;
Kd = 0.92 nM
272.382 C18 H24 O2 CC12C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QE4 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH A BENZOPYRAN AGONIST HOMO SAPIENS NUCLEAR RECEPTOR LIGAND-BINDING DOMAIN ALTERNATIVE SPLICING DNA-BINDING LIPID-BINDING METAL-BINDING NUCLEAR PROTEIN PHOSPHORYLATION POLYMORPHISM STEROID- BINDING TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR BETA AGONISTS (SERBAS). PART 4: FUNCTIONALIZATION OF THE BENZOPYRAN A-RING. BIOORG.MED.CHEM.LETT. V. 17 5082 2007
Members (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 195 families.
1 2IOK ic50 = 1 nM IOK C26 H26 N2 O2 CC(CCc1ccc....
2 3ERT - OHT C26 H29 N O2 CCC(=C(c1c....
3 1YIM ic50 = 1.5 nM CM4 C28 H31 N O4 CC1c2cc(cc....
4 3OSA - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
5 3UUC - 0D1 C14 H10 Cl2 O2 c1cc(ccc1C....
6 1GWR Kd = 250 nM ASN ALA LEU LEU ARG TYR LEU LEU ASP n/a n/a
7 4PP6 - LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
8 2OUZ - C3D C28 H31 N O2 c1ccc(cc1)....
9 1XP6 ic50 = 0.4 nM AIU C28 H31 N O4 S CC1CN(CC1C....
10 3OS9 - KN1 C17 H13 F3 N2 O2 C=CCn1c2c(....
11 1XPC ic50 = 1.7 nM AIT C27 H29 N O4 S CC(COc1ccc....
12 4IW6 - 1GU C18 H15 F3 N2 O2 C=CCCn1c(c....
13 4IW8 - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
14 2R6Y Ki = 0.32 nM LLC C27 H25 N O4 S c1cc(ccc1c....
15 4IU7 - 1GM C16 H13 F3 N2 O2 CCn1c(c2cc....
16 2IOG ic50 = 8 nM IOG C33 H39 N3 O3 CC(CCc1ccc....
17 1GWQ Kd = 76 nM LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
18 2POG Ki = 0.29 nM WST C18 H18 O3 c1cc(c2c(c....
19 4IVW - 1GJ C21 H15 F3 N2 O2 c1ccc(cc1)....
20 1SJ0 ic50 = 0.8 nM E4D C27 H29 N O4 S c1cc(ccc1C....
21 4IUI - 1GQ C18 H17 F3 N2 O2 CCCCn1c2c(....
22 1XQC ic50 = 63 nM AEJ C29 H33 N3 O c1ccc(cc1)....
23 1UOM ic50 = 19 nM PTI C28 H32 N2 O2 c1ccc(cc1)....
24 3DT3 - 369 C23 H18 O4 Cc1cc2cc(c....
25 1XP1 ic50 = 0.5 nM AIH C28 H31 N O4 S CC1CN(CC1C....
26 2QXS - RAL C28 H27 N O4 S c1cc(ccc1c....
27 4IV2 - 1GR C18 H17 F3 N2 O2 CC(C)Cn1c2....
28 2Q70 Ki = 8.3 nM DC8 C18 H16 F2 O3 c1cc(ccc1C....
29 4IWC - 1GV C18 H16 O2 S Cc1cc(ccc1....
30 2R6W Ki = 0.44 nM LLB C29 H29 N O4 S CC1CCN(CC1....
31 1YIN ic50 = 1.4 nM CM3 C29 H32 F N O4 CC1c2c(ccc....
32 2QE4 Ki = 0.28 nM JJ3 C20 H22 O4 COCc1cc(cc....
33 4IVY - 1GT C18 H15 F3 N2 O2 C=CCCn1c2c....
34 2AYR Ki = 0.52 nM L4G C30 H31 N O5 S CS(=O)(=O)....
35 4IWF - 15Q C13 H9 Cl F N O3 c1cc(c(cc1....
36 1QKT Kd = 0.92 nM EST C18 H24 O2 CC12CCC3c4....
37 1XP9 ic50 = 1.3 nM AIJ C27 H29 N O4 S CC(COc1ccc....
38 4IV4 - 1GS C18 H17 F3 N2 O2 CC(C)Cn1c(....
70% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 168 families.
1 2IOK ic50 = 1 nM IOK C26 H26 N2 O2 CC(CCc1ccc....
2 3ERT - OHT C26 H29 N O2 CCC(=C(c1c....
3 1YIM ic50 = 1.5 nM CM4 C28 H31 N O4 CC1c2cc(cc....
4 3OSA - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
5 3UUC - 0D1 C14 H10 Cl2 O2 c1cc(ccc1C....
6 1GWR Kd = 250 nM ASN ALA LEU LEU ARG TYR LEU LEU ASP n/a n/a
7 4PP6 - LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
8 2OUZ - C3D C28 H31 N O2 c1ccc(cc1)....
9 1XP6 ic50 = 0.4 nM AIU C28 H31 N O4 S CC1CN(CC1C....
10 3OS9 - KN1 C17 H13 F3 N2 O2 C=CCn1c2c(....
11 1XPC ic50 = 1.7 nM AIT C27 H29 N O4 S CC(COc1ccc....
12 4IW6 - 1GU C18 H15 F3 N2 O2 C=CCCn1c(c....
13 4IW8 - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
14 2R6Y Ki = 0.32 nM LLC C27 H25 N O4 S c1cc(ccc1c....
15 4IU7 - 1GM C16 H13 F3 N2 O2 CCn1c(c2cc....
16 2IOG ic50 = 8 nM IOG C33 H39 N3 O3 CC(CCc1ccc....
17 1GWQ Kd = 76 nM LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
18 2POG Ki = 0.29 nM WST C18 H18 O3 c1cc(c2c(c....
19 4IVW - 1GJ C21 H15 F3 N2 O2 c1ccc(cc1)....
20 1SJ0 ic50 = 0.8 nM E4D C27 H29 N O4 S c1cc(ccc1C....
21 4IUI - 1GQ C18 H17 F3 N2 O2 CCCCn1c2c(....
22 1XQC ic50 = 63 nM AEJ C29 H33 N3 O c1ccc(cc1)....
23 1UOM ic50 = 19 nM PTI C28 H32 N2 O2 c1ccc(cc1)....
24 3DT3 - 369 C23 H18 O4 Cc1cc2cc(c....
25 1XP1 ic50 = 0.5 nM AIH C28 H31 N O4 S CC1CN(CC1C....
26 2QXS - RAL C28 H27 N O4 S c1cc(ccc1c....
27 4IV2 - 1GR C18 H17 F3 N2 O2 CC(C)Cn1c2....
28 2Q70 Ki = 8.3 nM DC8 C18 H16 F2 O3 c1cc(ccc1C....
29 4IWC - 1GV C18 H16 O2 S Cc1cc(ccc1....
30 2R6W Ki = 0.44 nM LLB C29 H29 N O4 S CC1CCN(CC1....
31 1YIN ic50 = 1.4 nM CM3 C29 H32 F N O4 CC1c2c(ccc....
32 2QE4 Ki = 0.28 nM JJ3 C20 H22 O4 COCc1cc(cc....
33 4IVY - 1GT C18 H15 F3 N2 O2 C=CCCn1c2c....
34 2AYR Ki = 0.52 nM L4G C30 H31 N O5 S CS(=O)(=O)....
35 4IWF - 15Q C13 H9 Cl F N O3 c1cc(c(cc1....
36 1QKT Kd = 0.92 nM EST C18 H24 O2 CC12CCC3c4....
37 1XP9 ic50 = 1.3 nM AIJ C27 H29 N O4 S CC(COc1ccc....
38 4IV4 - 1GS C18 H17 F3 N2 O2 CC(C)Cn1c(....
39 1QKN - RAL C28 H27 N O4 S c1cc(ccc1c....
40 1HJ1 - PMB C6 H5 Hg O3 S c1cc(ccc1S....
41 1QKM - GEN C15 H10 O5 c1cc(ccc1C....
42 2GIU ic50 = 1.5 nM FBR C17 H19 Br O2 CCCCC12CCC....
43 1U9E ic50 = 5.7 nM 397 C14 H10 O3 c1cc(ccc1c....
44 2JJ3 Kd = 0.281 uM JJ3 C20 H22 O4 COCc1cc(cc....
45 1U3Q ic50 = 3.5 nM 272 C13 H9 N O4 c1cc2c(cc1....
46 2Z4B Ki = 0.44 nM DC8 C18 H16 F2 O3 c1cc(ccc1C....
47 2I0G Ki = 0.19 nM I0G C18 H18 O3 c1cc(ccc1C....
48 2FSZ - OHT C26 H29 N O2 CCC(=C(c1c....
49 2NV7 ic50 = 5 nM 555 C17 H13 N O2 c1ccc2c(c1....
50% Homology Family (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 140 families.
1 2IOK ic50 = 1 nM IOK C26 H26 N2 O2 CC(CCc1ccc....
2 3ERT - OHT C26 H29 N O2 CCC(=C(c1c....
3 1YIM ic50 = 1.5 nM CM4 C28 H31 N O4 CC1c2cc(cc....
4 3OSA - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
5 3UUC - 0D1 C14 H10 Cl2 O2 c1cc(ccc1C....
6 1GWR Kd = 250 nM ASN ALA LEU LEU ARG TYR LEU LEU ASP n/a n/a
7 4PP6 - LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
8 2OUZ - C3D C28 H31 N O2 c1ccc(cc1)....
9 1XP6 ic50 = 0.4 nM AIU C28 H31 N O4 S CC1CN(CC1C....
10 3OS9 - KN1 C17 H13 F3 N2 O2 C=CCn1c2c(....
11 1XPC ic50 = 1.7 nM AIT C27 H29 N O4 S CC(COc1ccc....
12 4IW6 - 1GU C18 H15 F3 N2 O2 C=CCCn1c(c....
13 4IW8 - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
14 2R6Y Ki = 0.32 nM LLC C27 H25 N O4 S c1cc(ccc1c....
15 4IU7 - 1GM C16 H13 F3 N2 O2 CCn1c(c2cc....
16 2IOG ic50 = 8 nM IOG C33 H39 N3 O3 CC(CCc1ccc....
17 1GWQ Kd = 76 nM LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
18 2POG Ki = 0.29 nM WST C18 H18 O3 c1cc(c2c(c....
19 4IVW - 1GJ C21 H15 F3 N2 O2 c1ccc(cc1)....
20 1SJ0 ic50 = 0.8 nM E4D C27 H29 N O4 S c1cc(ccc1C....
21 4IUI - 1GQ C18 H17 F3 N2 O2 CCCCn1c2c(....
22 1XQC ic50 = 63 nM AEJ C29 H33 N3 O c1ccc(cc1)....
23 1UOM ic50 = 19 nM PTI C28 H32 N2 O2 c1ccc(cc1)....
24 3DT3 - 369 C23 H18 O4 Cc1cc2cc(c....
25 1XP1 ic50 = 0.5 nM AIH C28 H31 N O4 S CC1CN(CC1C....
26 2QXS - RAL C28 H27 N O4 S c1cc(ccc1c....
27 4IV2 - 1GR C18 H17 F3 N2 O2 CC(C)Cn1c2....
28 2Q70 Ki = 8.3 nM DC8 C18 H16 F2 O3 c1cc(ccc1C....
29 4IWC - 1GV C18 H16 O2 S Cc1cc(ccc1....
30 2R6W Ki = 0.44 nM LLB C29 H29 N O4 S CC1CCN(CC1....
31 1YIN ic50 = 1.4 nM CM3 C29 H32 F N O4 CC1c2c(ccc....
32 2QE4 Ki = 0.28 nM JJ3 C20 H22 O4 COCc1cc(cc....
33 4IVY - 1GT C18 H15 F3 N2 O2 C=CCCn1c2c....
34 2AYR Ki = 0.52 nM L4G C30 H31 N O5 S CS(=O)(=O)....
35 4IWF - 15Q C13 H9 Cl F N O3 c1cc(c(cc1....
36 1QKT Kd = 0.92 nM EST C18 H24 O2 CC12CCC3c4....
37 1XP9 ic50 = 1.3 nM AIJ C27 H29 N O4 S CC(COc1ccc....
38 4IV4 - 1GS C18 H17 F3 N2 O2 CC(C)Cn1c(....
39 1QKN - RAL C28 H27 N O4 S c1cc(ccc1c....
40 1HJ1 - PMB C6 H5 Hg O3 S c1cc(ccc1S....
41 1QKM - GEN C15 H10 O5 c1cc(ccc1C....
42 2GIU ic50 = 1.5 nM FBR C17 H19 Br O2 CCCCC12CCC....
43 2EWP ic50 = 0.079 uM TXF C27 H31 N O3 CN(C)CCOc1....
44 1S9P - DES C18 H20 O2 CCC(=C(CC)....
45 2E2R Kd = 5.5 nM 2OH C15 H16 O2 CC(C)(c1cc....
46 2P7Z Kd = 0.262 uM OHT C26 H29 N O2 CCC(=C(c1c....
47 2ZAS ic50 = 13.9 nM 1OH C15 H16 O CC(C)(c1cc....
48 2GPU - OHT C26 H29 N O2 CCC(=C(c1c....
49 2P7A Kd = 0.788 uM 43M C7 H7 Cl O Cc1cc(ccc1....
50 2P7G Kd = 0.297 uM 2OH C15 H16 O2 CC(C)(c1cc....
51 1S9Q - OHT C26 H29 N O2 CCC(=C(c1c....
52 1U9E ic50 = 5.7 nM 397 C14 H10 O3 c1cc(ccc1c....
53 2JJ3 Kd = 0.281 uM JJ3 C20 H22 O4 COCc1cc(cc....
54 1U3Q ic50 = 3.5 nM 272 C13 H9 N O4 c1cc2c(cc1....
55 2Z4B Ki = 0.44 nM DC8 C18 H16 F2 O3 c1cc(ccc1C....
56 2I0G Ki = 0.19 nM I0G C18 H18 O3 c1cc(ccc1C....
57 2FSZ - OHT C26 H29 N O2 CCC(=C(c1c....
58 2NV7 ic50 = 5 nM 555 C17 H13 N O2 c1ccc2c(c1....
59 2PJL ic50 = 190 nM 047 C23 H28 N2 Cc1ccc(cc1....
60 3PCU - LX8 C21 H24 O5 CC(=O)OC(C....
61 1FBY Kd = 1.5 nM REA C20 H28 O2 CC1=C(C(CC....
62 4N5G ic50 = 14.5 uM K09 C23 H23 F N4 CC1=C(c2cc....
63 1G5Y - REA C20 H28 O2 CC1=C(C(CC....
64 3FS1 - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EST; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 EST 1 1
2 ECS 0.626866 0.916667
3 ESL 0.614286 0.916667
4 ESZ 0.597222 0.837838
5 ESM 0.597222 0.868421
6 HE7 0.547619 0.846154
7 E2B 0.467391 0.688889
8 EED 0.451219 0.785714
9 EZT 0.412371 0.825
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QE4; Ligand: JJ3; Similar sites found: 218
This union binding pocket(no: 1) in the query (biounit: 2qe4.bio1) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3UU7 2OH 0.00000000001289 0.94601
2 4MG8 27J 0.000000000000446 0.94271
3 4MGA 27L 0.00000000006876 0.93336
4 3UU7 2OH 0.00000000001431 0.928
5 3UU7 2OH 0.00000000001431 0.928
6 4J26 EST 0.000000000003152 0.91496
7 4J26 EST 0.000000000003162 0.91489
8 2JF9 OHT 0.00000000000008515 0.88581
9 4MGD 27N 0.00000000001287 0.87028
10 3UUA 0CZ 0.00000000001585 0.86579
11 3UUA 0CZ 0.00000000001585 0.86579
12 3UUA 0CZ 0.0000000004329 0.81929
13 1T73 DHT 0.0000000001107 0.80057
14 1T76 DHT 0.0000000001443 0.79509
15 1T5Z DHT 0.0000000003504 0.78764
16 1T7R DHT 0.0000000004395 0.78286
17 2Q7J TES 0.0000000003005 0.76954
18 3L3X DHT 0.0000000003309 0.76759
19 3L3Z DHT 0.0000000003452 0.76674
20 3RY9 1CA 0.000000001295 0.74977
21 3RY9 1CA 0.000000002193 0.73888
22 3VHU SNL 0.0000000004877 0.72328
23 4OHA HFT 0.000000003379 0.67936
24 4OKX 198 0.000000003462 0.67891
25 3GN8 DEX 0.00000002006 0.67621
26 3GN8 DEX 0.00000002179 0.67456
27 4E2J MOF 0.00000001762 0.67082
28 4E2J MOF 0.00000001195 0.67063
29 1M2Z DEX 0.00000002895 0.66892
30 4OKW 198 0.0000000459 0.66772
31 3MNP DEX 0.00000003225 0.66677
32 2AX9 BHM 0.00000000008695 0.65058
33 4P6W MOF 0.0000001279 0.62529
34 1RDT L79 0.0000003677 0.61845
35 1XIU REA 0.0000007603 0.61807
36 1SR7 MOF 0.000000001963 0.56331
37 4MGB XDH 0.0000000000002914 0.56301
38 4WLB SER LEU LEU LYS LYS LEU LEU ASP 0.0001541 0.55084
39 1U3R 338 0.00000000006256 0.54916
40 4MG7 27H 0.000000000002666 0.54681
41 3OLL EST 0.0000000000005798 0.54668
42 3OLL EST 0.0000000000005934 0.54648
43 3OLL EST 0.0000000000005934 0.54648
44 3KMR EQN 0.00002011 0.54456
45 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.00006951 0.54257
46 3TDC 0EU 0.0008684 0.53987
47 3UUD EST 0.0000000000001656 0.53941
48 3UUD EST 0.0000000000001656 0.53941
49 3UUD EST 0.0000000000001769 0.53902
50 2YJD YJD 0.000000000003048 0.52927
51 3V49 PK0 0.000000003712 0.51974
52 4OAR 2S0 0.0000000006496 0.51267
53 2R40 EPH 0.00001434 0.51181
54 4J24 EST 0.000000000001726 0.51112
55 4J24 EST 0.000000000001836 0.5108
56 4J24 EST 0.000000000001846 0.51073
57 4J24 EST 0.000000000001964 0.51046
58 4DK7 0KS 0.000109 0.51034
59 1T7F DHT 0.0000000002061 0.51011
60 2A3I C0R 0.000000001257 0.51003
61 1T74 DHT 0.0000000001013 0.50965
62 1YYE 196 0.00000000002071 0.50769
63 1T7M DHT 0.0000000003113 0.5071
64 3B6C SDN 0.0008937 0.50339
65 2Q1H AS4 0.000000000549 0.50095
66 4LSJ LSJ 0.000000004681 0.49652
67 4LSJ LSJ 0.000000004681 0.49652
68 2R40 EPH 0.00002561 0.49378
69 1T65 DHT 0.0000000005525 0.49202
70 1TV5 N8E 0.001834 0.49201
71 2AO6 R18 0.0000000006644 0.48985
72 1T79 DHT 0.0000000009366 0.48775
73 1NF8 BOG 0.002401 0.48607
74 2Z9I GLY ALA THR VAL 0.002533 0.48056
75 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.00511 0.47844
76 1NHZ 486 0.00000008981 0.47417
77 1NHZ 486 0.00000003406 0.47417
78 1I0B PEL 0.006348 0.4724
79 3F33 PFL 0.008334 0.47033
80 2VWA PTY 0.005448 0.46791
81 4P6X HCY 0.00000002963 0.46756
82 3FEI CTM 0.0006178 0.46692
83 1RDT 570 0.0003397 0.4668
84 4P6X HCY 0.00000003413 0.46622
85 4OAS 2SW 0.001895 0.46509
86 4P6X HCY 0.00000003706 0.46493
87 4P6X HCY 0.00000004882 0.46397
88 4P6X HCY 0.00000004674 0.46379
89 3AQT RCO 0.004778 0.46351
90 2HC4 VDX 0.0001887 0.46319
91 2HC4 VDX 0.0001887 0.46319
92 4Q0A 4OA 0.001131 0.46296
93 4Q0A 4OA 0.001131 0.46296
94 3IPQ 965 0.000182 0.46049
95 4FHH 0U3 0.00008618 0.46012
96 4P6X HCY 0.00000007989 0.4601
97 3BQD DAY 0.0000001995 0.45805
98 4LWU 20U 0.002628 0.45803
99 4MG9 27K 0.000000000006924 0.45781
100 4IBF 1D5 0.002831 0.45643
101 4IBF 1D5 0.003064 0.45472
102 3RUU 37G 0.0003771 0.45447
103 4CSJ NN7 0.000000125 0.45408
104 1J78 OLA 0.004563 0.45381
105 4DS8 A8S 0.003439 0.45223
106 1OSV CHC 0.002087 0.45055
107 3B9Z CO2 0.01429 0.45032
108 2NPA MMB 0.001042 0.44951
109 3FEA ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 0.005814 0.4494
110 1OSV CHC 0.002236 0.44915
111 3W54 RNB 0.004396 0.44693
112 3KO0 TFP 0.009993 0.44621
113 3H0A 9RA 0.0000003455 0.44607
114 2NPA MMB 0.001976 0.44426
115 2R40 20E 0.001282 0.44227
116 2R40 20E 0.001282 0.44227
117 2VWA PTY 0.01524 0.44004
118 3KO0 TFP 0.01408 0.43951
119 3JZB 4HY 0.000909 0.43904
120 1K7L 544 0.001337 0.43831
121 1XVB 3BR 0.009754 0.43769
122 4WLB 3QQ 0.0005941 0.4375
123 4WLB 3QQ 0.0005941 0.4375
124 4WLB 3QQ 0.0005941 0.4375
125 2Q8H TF4 0.01841 0.43667
126 1RL4 BL5 0.0105 0.43639
127 4OAS 2SW 0.004199 0.43636
128 3KO0 TFP 0.0172 0.4344
129 1K7L 544 0.00199 0.43416
130 1K7L 544 0.001718 0.43376
131 3G4Q MCH 0.01026 0.43247
132 2O4J VD4 0.001674 0.43122
133 2O4J VD4 0.001674 0.43122
134 3OGN 3OG 0.007703 0.43103
135 2VWA PTY 0.02251 0.43043
136 1K7L 544 0.002083 0.43026
137 4BNU 9KQ 0.003593 0.42934
138 2JAP J01 0.01778 0.42812
139 4M4Q 21A 0.002883 0.42731
140 4M4Q 21A 0.002883 0.42731
141 2VWA PTY 0.03427 0.42657
142 3TL1 JRO 0.02305 0.42626
143 3FAL LO2 0.00006961 0.42613
144 3FAL LO2 0.00006961 0.42613
145 3KMZ EQO 0.00001992 0.42492
146 3KMZ EQO 0.00002771 0.42435
147 3KMZ EQO 0.00002771 0.42435
148 3W54 RNB 0.009096 0.424
149 4OKD GLC GLC GLC 0.02694 0.42376
150 3W54 RNB 0.01336 0.42288
151 3FAL LO2 0.00007114 0.42274
152 3OGN 3OG 0.01011 0.42181
153 1GEG GLC 0.04908 0.42053
154 4EJ1 FOL 0.01497 0.42042
155 4OKD GLC GLC GLC 0.03057 0.42026
156 3KFC 61X 0.00009161 0.41973
157 4F4S EFO 0.03058 0.41948
158 2VWA PTY 0.04177 0.41942
159 2FDW D3G 0.02616 0.41912
160 3KFC 61X 0.0001529 0.41834
161 3LLI FAD 0.003453 0.4183
162 4I67 G G G RPC 0.02377 0.41746
163 3KO0 TFP 0.0338 0.4173
164 4WLB 3QQ 0.003202 0.41693
165 3OKI OKI 0.009368 0.41689
166 3L1N PLM 0.03418 0.4168
167 1M2Z BOG 0.0235 0.41677
168 1W2D ADP 0.0247 0.41659
169 3MB4 MB3 0.03188 0.41581
170 3TL1 JRO 0.03577 0.41571
171 3VRV YSD 0.0008952 0.41323
172 3KV5 OGA 0.03888 0.41286
173 3KV5 OGA 0.03888 0.41286
174 4WX0 HXD 0.01866 0.41226
175 1XMY ROL 0.03537 0.41205
176 3K3K A8S 0.01194 0.41204
177 3K3K A8S 0.01194 0.41204
178 1XN0 ROL 0.0356 0.4119
179 3NFZ 3NF 0.02659 0.41131
180 4WX0 HXD 0.0196 0.41121
181 1XN0 ROL 0.03867 0.40995
182 1TV5 N8E 0.04551 0.40989
183 3T50 FMN 0.01601 0.40915
184 3IA4 MTX 0.02937 0.40908
185 2OHV NHL 0.04018 0.40905
186 1XM4 PIL 0.02972 0.40882
187 3IA4 MTX 0.02987 0.4087
188 1OPK MYR 0.03023 0.40844
189 4F4S EFO 0.04906 0.40807
190 1M13 HYF 0.000118 0.40767
191 1XMY ROL 0.04278 0.40757
192 4I90 CHT 0.04351 0.40751
193 1DQE BOM 0.01505 0.40742
194 4EJ1 FOL 0.02458 0.40638
195 2XCM ADP 0.02877 0.40619
196 3KDU NKS 0.000864 0.40617
197 4Q86 AMP 0.02922 0.40585
198 4DR9 BB2 0.0296 0.40557
199 2XCM ADP 0.02977 0.40545
200 4Q86 AMP 0.03004 0.40525
201 4DR9 BB2 0.03007 0.40523
202 4NB5 2JT 0.02021 0.40439
203 3UP3 XCA 0.01204 0.40344
204 2D7I UDP 0.03779 0.40344
205 1POC GEL 0.02445 0.40341
206 3KDU NKS 0.001646 0.40306
207 3KDU NKS 0.001646 0.40306
208 4R38 RBF 0.02285 0.40187
209 4R38 RBF 0.02028 0.40144
210 4R38 RBF 0.02028 0.40144
211 4EIL FOL 0.03617 0.40118
212 4QEK GLC 0.04496 0.40116
213 1XMU ROF 0.0364 0.40104
214 1XMU ROF 0.03644 0.40102
215 3IA4 MTX 0.03654 0.40096
216 1TMX HGX 0.01823 0.4008
217 4R38 RBF 0.02144 0.40033
218 3IA4 MTX 0.03788 0.40016
Pocket No.: 2; Query (leader) PDB : 2QE4; Ligand: JJ3; 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: 2qe4.bio1) has 48 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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