Receptor
PDB id Resolution Class Description Source Keywords
1U9E 2.4 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397 HOMO SAPIENS ESTROGEN RECEPTOR ESTROGEN RECEPTOR BETA ER-BETA ER ESTROGEN NUCLEAR RECEPTOR TRANSCRIPTION FACTOR AGONIST
Ref.: STRUCTURE-BASED DESIGN OF ESTROGEN RECEPTOR-BETA SELECTIVE LIGANDS J.AM.CHEM.SOC. V. 126 15106 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
397 A:201;
B:202;
Valid;
Valid;
none;
none;
ic50 = 5.7 nM
226.227 C14 H10 O3 c1cc(...
LYS LEU VAL GLN LEU LEU THR THR THR C:605;
D:605;
Valid;
Valid;
none;
none;
submit data
1017.26 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I0G 2.5 Å EC: 2.3.1.48 BENZOPYRANS ARE SELECTIVE ESTROGEN RECEPTOR BETA AGONISTS (S WITH NOVEL ACTIVITY IN MODELS OF BENIGN PROSTATIC HYPERPLAS HOMO SAPIENS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN TRANSCRIPTION
Ref.: BENZOPYRANS ARE SELECTIVE ESTROGEN RECEPTOR BETA AG WITH NOVEL ACTIVITY IN MODELS OF BENIGN PROSTATIC HYPERPLASIA. J.MED.CHEM. V. 49 6155 2006
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 2JJ3 Kd = 0.281 uM JJ3 C20 H22 O4 COCc1cc(cc....
2 2Z4B Ki = 0.44 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
3 5TOA - EST C18 H24 O2 C[C@]12CC[....
4 1QKM - GEN C15 H10 O5 c1cc(ccc1C....
5 2GIU ic50 = 1.5 nM FBR C17 H19 Br O2 CCCC[C@@]1....
6 1QKN - RAL C28 H27 N O4 S c1cc(ccc1c....
7 1U9E ic50 = 5.7 nM 397 C14 H10 O3 c1cc(ccc1c....
8 1U3Q ic50 = 3.5 nM 272 C13 H9 N O4 c1cc2c(cc1....
9 2I0G Ki = 0.19 nM I0G C18 H18 O3 c1cc(ccc1[....
10 1HJ1 - PMB C6 H5 Hg O3 S c1cc(ccc1S....
11 2FSZ - OHT C26 H29 N O2 CC/C(=C(c1....
12 2NV7 ic50 = 5 nM 555 C17 H13 N O2 c1ccc2c(c1....
70% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3ERT - OHT C26 H29 N O2 CC/C(=C(c1....
2 1YIM ic50 = 1.5 nM CM4 C28 H31 N O4 C[C@@H]1c2....
3 5W9C - OHT C26 H29 N O2 CC/C(=C(c1....
4 1XP6 ic50 = 0.4 nM AIU C28 H31 N O4 S C[C@@H]1CN....
5 5FQT ic50 = 160 nM 7QN C23 H27 N O3 Cc1c(ccc2c....
6 4IW6 - 1GU C18 H15 F3 N2 O2 C=CCCn1c(c....
7 5FQV ic50 = 610 nM VQI C23 H27 N O3 Cc1cc2c(cc....
8 4IW8 - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
9 5FQR ic50 = 26 nM QHG C22 H25 N O3 CC(C)CN1CC....
10 2IOG ic50 = 8 nM IOG C33 H39 N3 O3 C[C@H](CCc....
11 1GWQ Kd = 76 nM LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
12 4IVW - 1GJ C21 H15 F3 N2 O2 c1ccc(cc1)....
13 5U2B - 6WV C24 H29 N O C[C@]12CC[....
14 4IUI - 1GQ C18 H17 F3 N2 O2 CCCCn1c2c(....
15 1XQC ic50 = 63 nM AEJ C29 H33 N3 O c1ccc(cc1)....
16 1UOM ic50 = 19 nM PTI C28 H32 N2 O2 c1ccc(cc1)....
17 1XP1 ic50 = 0.5 nM AIH C28 H31 N O4 S C[C@H]1CN(....
18 2QXS - RAL C28 H27 N O4 S c1cc(ccc1c....
19 6CHZ - F3D C31 H36 N4 O2 CC/C(=C(/c....
20 2Q70 Ki = 8.3 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
21 2R6W Ki = 0.44 nM LLB C29 H29 N O4 S CC1CCN(CC1....
22 2QE4 Ki = 0.28 nM JJ3 C20 H22 O4 COCc1cc(cc....
23 5AK2 ic50 = 0.0039 uM 85Z C26 H19 F O5 Cc1cc(ccc1....
24 1XP9 ic50 = 1.3 nM AIJ C27 H29 N O4 S C[C@@H](CO....
25 4IV4 - 1GS C18 H17 F3 N2 O2 CC(C)Cn1c(....
26 5UFW - 86V C29 H31 N O4 C[C@H]1CCN....
27 2IOK ic50 = 1 nM IOK C26 H26 N2 O2 C[C@H](CCc....
28 3OSA - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
29 5TN9 - 7EC C31 H32 Br N O6 S c1cc(ccc1C....
30 3UUC - 0D1 C14 H10 Cl2 O2 c1cc(ccc1C....
31 1GWR Kd = 250 nM ASN ALA LEU LEU ARG TYR LEU LEU ASP n/a n/a
32 4PP6 - LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
33 2OUZ - C3D C28 H31 N O2 c1ccc(cc1)....
34 3OS9 - KN1 C17 H13 F3 N2 O2 C=CCn1c2c(....
35 1XPC ic50 = 1.7 nM AIT C27 H29 N O4 S C[C@H](COc....
36 2R6Y Ki = 0.32 nM LLC C27 H25 N O4 S c1cc(ccc1c....
37 4IU7 - 1GM C16 H13 F3 N2 O2 CCn1c(c2cc....
38 2POG Ki = 0.29 nM WST C18 H18 O3 c1cc(c2c(c....
39 5TNB - 7EB C28 H28 Br N O6 S CN(C)CCOc1....
40 1SJ0 ic50 = 0.8 nM E4D C27 H29 N O4 S c1cc(ccc1[....
41 5T92 ic50 = 16 nM 77W C25 H22 F N O3 C[C@]1(c2c....
42 5W9D - 9XY C25 H27 N O2 CC/C(=C(c1....
43 3DT3 - 369 C23 H18 O4 Cc1cc2cc(c....
44 5AAU ic50 = 13.8 uM XBR C20 H19 Cl N2 O2 c1ccc2c(c1....
45 5UFX - 86Y C29 H31 N O4 C[C@@H]1CC....
46 4IV2 - 1GR C18 H17 F3 N2 O2 CC(C)Cn1c2....
47 4IWC - 1GV C18 H16 O2 S Cc1cc(ccc1....
48 5FQP ic50 = 19 nM GQD C23 H27 N O3 C[C@@H]1Cc....
49 1YIN ic50 = 1.4 nM CM3 C29 H32 F N O4 C[C@@H]1c2....
50 4IVY - 1GT C18 H15 F3 N2 O2 C=CCCn1c2c....
51 2AYR Ki = 0.52 nM L4G C30 H31 N O5 S CS(=O)(=O)....
52 4IWF - 15Q C13 H9 Cl F N O3 c1cc(c(cc1....
53 5FQS ic50 = 44 nM J0W C23 H27 N O3 CC(C)CN1CC....
54 1QKT Kd = 0.92 nM EST C18 H24 O2 C[C@]12CC[....
55 5ACC ic50 = 0.676 nM KE9 C25 H25 F3 N2 O2 C[C@@H]1Cc....
56 2JJ3 Kd = 0.281 uM JJ3 C20 H22 O4 COCc1cc(cc....
57 2Z4B Ki = 0.44 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
58 5TOA - EST C18 H24 O2 C[C@]12CC[....
59 1QKM - GEN C15 H10 O5 c1cc(ccc1C....
60 2GIU ic50 = 1.5 nM FBR C17 H19 Br O2 CCCC[C@@]1....
61 1QKN - RAL C28 H27 N O4 S c1cc(ccc1c....
62 1U9E ic50 = 5.7 nM 397 C14 H10 O3 c1cc(ccc1c....
63 1U3Q ic50 = 3.5 nM 272 C13 H9 N O4 c1cc2c(cc1....
64 2I0G Ki = 0.19 nM I0G C18 H18 O3 c1cc(ccc1[....
65 1HJ1 - PMB C6 H5 Hg O3 S c1cc(ccc1S....
66 2FSZ - OHT C26 H29 N O2 CC/C(=C(c1....
67 2NV7 ic50 = 5 nM 555 C17 H13 N O2 c1ccc2c(c1....
50% Homology Family (85)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3ERT - OHT C26 H29 N O2 CC/C(=C(c1....
2 1YIM ic50 = 1.5 nM CM4 C28 H31 N O4 C[C@@H]1c2....
3 5W9C - OHT C26 H29 N O2 CC/C(=C(c1....
4 1XP6 ic50 = 0.4 nM AIU C28 H31 N O4 S C[C@@H]1CN....
5 5FQT ic50 = 160 nM 7QN C23 H27 N O3 Cc1c(ccc2c....
6 4IW6 - 1GU C18 H15 F3 N2 O2 C=CCCn1c(c....
7 5FQV ic50 = 610 nM VQI C23 H27 N O3 Cc1cc2c(cc....
8 4IW8 - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
9 5FQR ic50 = 26 nM QHG C22 H25 N O3 CC(C)CN1CC....
10 2IOG ic50 = 8 nM IOG C33 H39 N3 O3 C[C@H](CCc....
11 1GWQ Kd = 76 nM LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
12 4IVW - 1GJ C21 H15 F3 N2 O2 c1ccc(cc1)....
13 5U2B - 6WV C24 H29 N O C[C@]12CC[....
14 4IUI - 1GQ C18 H17 F3 N2 O2 CCCCn1c2c(....
15 1XQC ic50 = 63 nM AEJ C29 H33 N3 O c1ccc(cc1)....
16 1UOM ic50 = 19 nM PTI C28 H32 N2 O2 c1ccc(cc1)....
17 1XP1 ic50 = 0.5 nM AIH C28 H31 N O4 S C[C@H]1CN(....
18 2QXS - RAL C28 H27 N O4 S c1cc(ccc1c....
19 6CHZ - F3D C31 H36 N4 O2 CC/C(=C(/c....
20 2Q70 Ki = 8.3 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
21 2R6W Ki = 0.44 nM LLB C29 H29 N O4 S CC1CCN(CC1....
22 2QE4 Ki = 0.28 nM JJ3 C20 H22 O4 COCc1cc(cc....
23 5AK2 ic50 = 0.0039 uM 85Z C26 H19 F O5 Cc1cc(ccc1....
24 1XP9 ic50 = 1.3 nM AIJ C27 H29 N O4 S C[C@@H](CO....
25 4IV4 - 1GS C18 H17 F3 N2 O2 CC(C)Cn1c(....
26 5UFW - 86V C29 H31 N O4 C[C@H]1CCN....
27 2IOK ic50 = 1 nM IOK C26 H26 N2 O2 C[C@H](CCc....
28 3OSA - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
29 5TN9 - 7EC C31 H32 Br N O6 S c1cc(ccc1C....
30 3UUC - 0D1 C14 H10 Cl2 O2 c1cc(ccc1C....
31 1GWR Kd = 250 nM ASN ALA LEU LEU ARG TYR LEU LEU ASP n/a n/a
32 4PP6 - LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
33 2OUZ - C3D C28 H31 N O2 c1ccc(cc1)....
34 3OS9 - KN1 C17 H13 F3 N2 O2 C=CCn1c2c(....
35 1XPC ic50 = 1.7 nM AIT C27 H29 N O4 S C[C@H](COc....
36 2R6Y Ki = 0.32 nM LLC C27 H25 N O4 S c1cc(ccc1c....
37 4IU7 - 1GM C16 H13 F3 N2 O2 CCn1c(c2cc....
38 2POG Ki = 0.29 nM WST C18 H18 O3 c1cc(c2c(c....
39 5TNB - 7EB C28 H28 Br N O6 S CN(C)CCOc1....
40 1SJ0 ic50 = 0.8 nM E4D C27 H29 N O4 S c1cc(ccc1[....
41 5T92 ic50 = 16 nM 77W C25 H22 F N O3 C[C@]1(c2c....
42 5W9D - 9XY C25 H27 N O2 CC/C(=C(c1....
43 3DT3 - 369 C23 H18 O4 Cc1cc2cc(c....
44 5AAU ic50 = 13.8 uM XBR C20 H19 Cl N2 O2 c1ccc2c(c1....
45 5UFX - 86Y C29 H31 N O4 C[C@@H]1CC....
46 4IV2 - 1GR C18 H17 F3 N2 O2 CC(C)Cn1c2....
47 4IWC - 1GV C18 H16 O2 S Cc1cc(ccc1....
48 5FQP ic50 = 19 nM GQD C23 H27 N O3 C[C@@H]1Cc....
49 1YIN ic50 = 1.4 nM CM3 C29 H32 F N O4 C[C@@H]1c2....
50 4IVY - 1GT C18 H15 F3 N2 O2 C=CCCn1c2c....
51 2AYR Ki = 0.52 nM L4G C30 H31 N O5 S CS(=O)(=O)....
52 4IWF - 15Q C13 H9 Cl F N O3 c1cc(c(cc1....
53 5FQS ic50 = 44 nM J0W C23 H27 N O3 CC(C)CN1CC....
54 1QKT Kd = 0.92 nM EST C18 H24 O2 C[C@]12CC[....
55 5ACC ic50 = 0.676 nM KE9 C25 H25 F3 N2 O2 C[C@@H]1Cc....
56 1G5Y - REA C20 H28 O2 CC1=C(C(CC....
57 3PCU - LX8 C21 H24 O5 CC(=O)OC(C....
58 5MKJ - 4CU C21 H22 O4 CCCOc1ccc(....
59 1FBY Kd = 1.5 nM REA C20 H28 O2 CC1=C(C(CC....
60 4N5G ic50 = 14.5 uM K09 C23 H23 F N4 CC1=C(c2cc....
61 1HG4 - LPP C35 H69 O8 P CCCCCCCCCC....
62 1G2N - EPH C39 H68 N O8 P CCCC=CCC=C....
63 2PJL ic50 = 190 nM 047 C23 H28 N2 Cc1ccc(cc1....
64 2JJ3 Kd = 0.281 uM JJ3 C20 H22 O4 COCc1cc(cc....
65 2Z4B Ki = 0.44 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
66 5TOA - EST C18 H24 O2 C[C@]12CC[....
67 1QKM - GEN C15 H10 O5 c1cc(ccc1C....
68 2GIU ic50 = 1.5 nM FBR C17 H19 Br O2 CCCC[C@@]1....
69 1QKN - RAL C28 H27 N O4 S c1cc(ccc1c....
70 1U9E ic50 = 5.7 nM 397 C14 H10 O3 c1cc(ccc1c....
71 1U3Q ic50 = 3.5 nM 272 C13 H9 N O4 c1cc2c(cc1....
72 2I0G Ki = 0.19 nM I0G C18 H18 O3 c1cc(ccc1[....
73 1HJ1 - PMB C6 H5 Hg O3 S c1cc(ccc1S....
74 2FSZ - OHT C26 H29 N O2 CC/C(=C(c1....
75 2NV7 ic50 = 5 nM 555 C17 H13 N O2 c1ccc2c(c1....
76 3FS1 - MYR C14 H28 O2 CCCCCCCCCC....
77 2ZAS ic50 = 13.9 nM 1OH C15 H16 O CC(C)(c1cc....
78 2EWP ic50 = 0.079 uM TXF C27 H31 N O3 CN(C)CCOc1....
79 1S9P - DES C18 H20 O2 CC/C(=C(/C....
80 2E2R Kd = 5.5 nM 2OH C15 H16 O2 CC(C)(c1cc....
81 2P7Z Kd = 0.262 uM OHT C26 H29 N O2 CC/C(=C(c1....
82 2GPU - OHT C26 H29 N O2 CC/C(=C(c1....
83 2P7A Kd = 0.788 uM 43M C7 H7 Cl O Cc1cc(ccc1....
84 2P7G Kd = 0.297 uM 2OH C15 H16 O2 CC(C)(c1cc....
85 1S9Q - OHT C26 H29 N O2 CC/C(=C(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 397; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 397 1 1
Ligand no: 2; Ligand: LYS LEU VAL GLN LEU LEU THR THR THR; Similar ligands found: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS LEU VAL GLN LEU LEU THR THR THR 1 1
2 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.68932 0.807018
3 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.656566 0.958333
4 LYS THR LYS LEU LEU 0.602273 0.93617
5 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.561905 0.849057
6 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.544554 0.938776
7 SER LEU LYS LEU MET THR THR VAL 0.54 0.882353
8 LEU LYS THR LYS LEU LEU 0.537634 0.93617
9 ACE GLN LEU VAL THR SER LEU 0.520833 0.895833
10 VAL THR THR ASP ILE GLN VAL LYS VAL 0.518519 0.978723
11 THR LYS ASN TYR LYS GLN THR SER VAL 0.508475 0.818182
12 LYS LEU LYS 0.5 0.829787
13 ASN SER THR LEU GLN 0.5 0.875
14 ILE LYS LEU GLU THR LYS LYS THR LYS LEU 0.5 0.938776
15 LYS GLN LYS 0.494118 0.765957
16 ACE VAL LYS GLU SER LEU VAL 0.485149 0.93617
17 PHE GLU ALA LYS LYS LEU VAL 0.483871 0.829787
18 LYS GLN THR SER VAL 0.483516 0.893617
19 ACE ASP LEU GLN THR SER ILE 0.480769 0.877551
20 LYS MET ASN THR GLN PHE THR ALA VAL 0.48 0.836364
21 GLU ALA THR GLN LEU MET ASN 0.477064 0.84
22 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.47541 0.762712
23 LYS LEU THR PRO LEU CYS VAL THR LEU 0.475 0.75
24 LYS ALA VAL TYR ASN LEU ALA THR MET 0.472441 0.807018
25 ASN LEU LEU GLN LYS LYS 0.47 0.833333
26 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.46087 0.882353
27 LYS THR LYS 0.45977 0.87234
28 ARG GLU ASP GLN GLU THR ALA VAL 0.457143 0.891304
29 ASN LEU VAL PRW MET VAL ALA THR VAL 0.453782 0.846154
30 LYS VAL LYS 0.453488 0.808511
31 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.452174 0.830189
32 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.451613 0.851852
33 LYS ASN LEU 0.449438 0.893617
34 ALA PRO ALA LEU ARG VAL VAL LYS 0.447619 0.735849
35 GLU LEU ALA ALA ILE GLY ILE LEU THR VAL 0.443478 0.914894
36 LYS CYS VAL VAL MET 0.438776 0.8
37 GLU LEU ALA GLY ILE GLY ILE LEU THR VAL 0.438596 0.895833
38 GLU ALA GLN THR ARG LEU 0.438596 0.846154
39 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.43662 0.661765
40 SER LEU ALA ASN THR VAL ALA THR LEU 0.435185 0.854167
41 ALA THR LYS ILE ASP ASN LEU ASP 0.434783 0.938776
42 ARG ARG ARG GLU THR GLN VAL 0.433962 0.830189
43 TYR GLN SER LYS LEU 0.431193 0.849057
44 GLU LYS VAL HIS VAL GLN 0.431034 0.684211
45 ALA LEU GLY ILE GLY ILE LEU THR VAL 0.428571 0.875
46 LYS VAL LEU PHE LEU ASP GLY 0.426087 0.82
47 ALA ALA GLY ILE GLY ILE LEU THR VAL 0.425926 0.875
48 CYS THR GLU LEU LYS LEU SER ASP TYR 0.425197 0.851852
49 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.423077 0.826923
50 LYS PRO VAL LEU ARG THR ALA 0.421875 0.676923
51 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.421875 0.759259
52 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.421488 0.826923
53 LYS LYS LYS ALA 0.420455 0.765957
54 HIS GLU GLU LEU ALA LYS LEU 0.42 0.869565
55 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.419847 0.694915
56 LYS ALA SER VAL GLY 0.418367 0.914894
57 ALA LEU ALA GLY ILE GLY ILE LEU THR VAL 0.418182 0.875
58 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.418033 0.741935
59 ALA ASN GLY GLY ALA SER GLY GLN VAL LYS 0.418033 0.88
60 LYS VAL ILE THR PHE ILE ASP LEU 0.414634 0.92
61 THR ARG ARG GLU THR GLN LEU 0.414414 0.849057
62 SER LEU SER GLN SER LEU SER GLN SER 0.414141 0.893617
63 CYS LEU GLY GLY LEU LEU THR MET VAL 0.413793 0.882353
64 LEU ALA SER LEU GLU SER GLN SER 0.413462 0.914894
65 MET ABA LEU ARG MET THR ALA VAL MET 0.41129 0.741379
66 PHE LEU SER THR LYS 0.410714 0.88
67 ALA ARG THR LYS GLN THR ALA ARG LYS 0.410256 0.811321
68 SER LEU LEU LYS LYS LEU LEU ASP 0.41 0.9375
69 LYS LEU LEU PHE 0.41 0.755102
70 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.409449 0.655172
71 LYS SER ALA TPO THR THR VAL MET ASN PRO 0.409091 0.781818
72 GLU LEU PRO LEU VAL LYS ILE 0.408 0.666667
73 LYS ALA LEU TYR ASN PHE ALA THR MET 0.407407 0.779661
74 GLU ALA ALA GLY ILE GLY ILE LEU THR VAL 0.40678 0.895833
75 GLU LEU ALA GLY ILE GLY ILE ALA THR VAL 0.40678 0.895833
76 GLU GLN TYR LYS PHE TYR SER VAL 0.406504 0.785714
77 LYS ALA VAL PHE ASN PHE ALA THR MET 0.40625 0.821429
78 LEU ALA GLY ILE GLY ILE LEU THR VAL 0.405405 0.875
79 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.403101 0.6875
80 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.401709 0.740741
81 SER LEU TYR LEU THR VAL ALA THR LEU 0.401709 0.754717
82 ASN LEU VAL PRO THR VAL ALA THR VAL 0.401639 0.762712
83 MET CYS LEU ARG MET THR ALA VAL MET 0.401575 0.77193
84 ASN LEU VAL PRO MET VAL ALA THR VAL 0.4 0.714286
85 ASN LEU VAL PRO SER VAL ALA THR VAL 0.4 0.766667
86 LYS GLU LYS 0.4 0.765957
87 LYS SER HIS GLN GLU 0.4 0.689655
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2I0G; Ligand: I0G; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 2i0g.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA 16.4948
2 3RY9 1CA 32.8
3 4LSJ LSJ 33.463
4 5MWY YNU 36.5759
5 5L7G 6QE 36.965
6 4UDB CV7 36.965
7 4OAR 2S0 38.5214
8 2Q1H AS4 41.6
Pocket No.: 2; Query (leader) PDB : 2I0G; Ligand: I0G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2i0g.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
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