Receptor
PDB id Resolution Class Description Source Keywords
5L7H 1.84 Å NON-ENZYME: SIGNAL_HORMONE MCR IN COMPLEX WITH LIGAND HOMO SAPIENS MINERALOCORTICOID RECEPTOR 2 SIGNALING PROTEIN
Ref.: STRUCTURE-BASED DRUG DESIGN OF MINERALOCORTICOID RE ANTAGONISTS TO EXPLORE OXOSTEROID RECEPTOR SELECTIV CHEMMEDCHEM V. 12 50 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6QG A:1101;
Valid;
none;
Ki = 50 nM
398.475 C21 H22 N2 O4 S Cc1c-...
NHE A:1102;
Invalid;
none;
submit data
207.29 C8 H17 N O3 S C1CCC...
LYS SER LEU LEU GLN GLN LEU LEU THR GLU B:1432;
Valid;
Atoms found MORE than expected: % Diff = 1.098;
submit data
1172.39 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L7G 2.01 Å NON-ENZYME: SIGNAL_HORMONE MCR IN COMPLEX WITH LIGAND HOMO SAPIENS MINERALOCORTICOID RECEPTOR 2 SIGNALING PROTEIN
Ref.: STRUCTURE-BASED DRUG DESIGN OF MINERALOCORTICOID RE ANTAGONISTS TO EXPLORE OXOSTEROID RECEPTOR SELECTIV CHEMMEDCHEM V. 12 50 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
2 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
3 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
70% Homology Family (83)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 3RY9 - 1CA C21 H30 O3 C[C@]12CC[....
2 1XNN Ki = 0.5 nM HYQ C20 H18 N2 O4 c1ccc2c(c1....
3 2AMA - DHT C19 H30 O2 C[C@]12CCC....
4 2AX9 Ki = 0.3 nM BHM C11 H10 Br F3 N2 O4 C[C@](CBr)....
5 2AMB - 17H C21 H28 O2 CC[C@@]1(C....
6 4OEA - DHT C19 H30 O2 C[C@]12CCC....
7 3B67 - B67 C17 H10 F8 N2 O5 C[C@](COc1....
8 2PIU - DHT C19 H30 O2 C[C@]12CCC....
9 2YLO - TES C19 H28 O2 C[C@]12CC[....
10 2PNU - ENM C27 H36 F2 O3 C[C@]12CCC....
11 4HLW - 17W C15 H14 N2 O S c1ccc(cc1)....
12 2PIQ - RB1 C16 H19 N5 O CC(C)(C)n1....
13 2HVC - LGD C14 H9 F9 N2 O c1cc2c(cc1....
14 2OZ7 - CA4 C24 H29 Cl O4 CC(=O)[C@]....
15 3B65 - 3B6 C18 H14 I N3 O3 C[C@](COc1....
16 5CJ6 Ki = 2.03 nM 51Y C14 H17 Cl N2 O Cc1c(ccc(c....
17 4QL8 ic50 = 0.7 nM JAD C15 H16 Cl N3 O2 Cc1c(ccc(c....
18 3B5R - B5R C18 H13 Cl F4 N2 O3 C[C@](COc1....
19 2AX8 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
20 2QPY - DHT C19 H30 O2 C[C@]12CCC....
21 1T7T - DHT C19 H30 O2 C[C@]12CCC....
22 1Z95 Kd = 0.76 nM 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 3RLJ - RLJ C19 H14 F3 N3 O3 C[C@](COc1....
24 2AX7 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
25 3ZQT - TES C19 H28 O2 C[C@]12CC[....
26 1GS4 - ZK5 C21 H29 F O5 C[C@]12CCC....
27 2AM9 - TES C19 H28 O2 C[C@]12CC[....
28 3B66 - B66 C18 H16 F3 N3 O5 C[C@](COc1....
29 2PIT - DHT C19 H30 O2 C[C@]12CCC....
30 3G0W Ki = 0.3 nM LGB C15 H13 Cl F3 N3 O2 Cc1c(ccc(c....
31 1I38 - DHT C19 H30 O2 C[C@]12CCC....
32 2PIP - ICO C9 H7 N O2 c1ccc2c(c1....
33 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
34 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
35 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
36 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
37 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
38 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
39 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
40 2PIR - NK C7 H6 O2 c1ccc(c(c1....
41 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
42 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
43 2PKL - DHT C19 H30 O2 C[C@]12CCC....
44 2PIO - DHT C19 H30 O2 C[C@]12CCC....
45 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
46 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
47 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
48 2YLQ - TES C19 H28 O2 C[C@]12CC[....
49 1I37 - DHT C19 H30 O2 C[C@]12CCC....
50 2YLP - TES C19 H28 O2 C[C@]12CC[....
51 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
52 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
53 2AAX - PDN C21 H26 O5 C[C@]12CC(....
54 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
55 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
56 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
57 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
58 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
59 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
60 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
61 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
62 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
63 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
64 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
65 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
66 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
67 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
68 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
69 3D90 - NOG C21 H28 O2 CC[C@]12CC....
70 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
71 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
72 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
73 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
74 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
75 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
76 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
77 4LTW - STR C21 H30 O2 CC(=O)[C@H....
78 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
79 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
80 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
81 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
82 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
83 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
50% Homology Family (85)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 3RY9 - 1CA C21 H30 O3 C[C@]12CC[....
2 1XNN Ki = 0.5 nM HYQ C20 H18 N2 O4 c1ccc2c(c1....
3 2AMA - DHT C19 H30 O2 C[C@]12CCC....
4 2AX9 Ki = 0.3 nM BHM C11 H10 Br F3 N2 O4 C[C@](CBr)....
5 2AMB - 17H C21 H28 O2 CC[C@@]1(C....
6 4OEA - DHT C19 H30 O2 C[C@]12CCC....
7 3B67 - B67 C17 H10 F8 N2 O5 C[C@](COc1....
8 2PIU - DHT C19 H30 O2 C[C@]12CCC....
9 2YLO - TES C19 H28 O2 C[C@]12CC[....
10 2PNU - ENM C27 H36 F2 O3 C[C@]12CCC....
11 4HLW - 17W C15 H14 N2 O S c1ccc(cc1)....
12 2PIQ - RB1 C16 H19 N5 O CC(C)(C)n1....
13 2HVC - LGD C14 H9 F9 N2 O c1cc2c(cc1....
14 2OZ7 - CA4 C24 H29 Cl O4 CC(=O)[C@]....
15 3B65 - 3B6 C18 H14 I N3 O3 C[C@](COc1....
16 5CJ6 Ki = 2.03 nM 51Y C14 H17 Cl N2 O Cc1c(ccc(c....
17 4QL8 ic50 = 0.7 nM JAD C15 H16 Cl N3 O2 Cc1c(ccc(c....
18 3B5R - B5R C18 H13 Cl F4 N2 O3 C[C@](COc1....
19 2AX8 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
20 2QPY - DHT C19 H30 O2 C[C@]12CCC....
21 1T7T - DHT C19 H30 O2 C[C@]12CCC....
22 1Z95 Kd = 0.76 nM 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 3RLJ - RLJ C19 H14 F3 N3 O3 C[C@](COc1....
24 2AX7 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
25 3ZQT - TES C19 H28 O2 C[C@]12CC[....
26 1GS4 - ZK5 C21 H29 F O5 C[C@]12CCC....
27 2AM9 - TES C19 H28 O2 C[C@]12CC[....
28 3B66 - B66 C18 H16 F3 N3 O5 C[C@](COc1....
29 2PIT - DHT C19 H30 O2 C[C@]12CCC....
30 3G0W Ki = 0.3 nM LGB C15 H13 Cl F3 N3 O2 Cc1c(ccc(c....
31 1I38 - DHT C19 H30 O2 C[C@]12CCC....
32 2PIP - ICO C9 H7 N O2 c1ccc2c(c1....
33 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
34 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
35 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
36 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
37 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
38 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
39 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
40 2PIR - NK C7 H6 O2 c1ccc(c(c1....
41 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
42 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
43 2PKL - DHT C19 H30 O2 C[C@]12CCC....
44 2PIO - DHT C19 H30 O2 C[C@]12CCC....
45 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
46 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
47 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
48 2YLQ - TES C19 H28 O2 C[C@]12CC[....
49 1I37 - DHT C19 H30 O2 C[C@]12CCC....
50 2YLP - TES C19 H28 O2 C[C@]12CC[....
51 3VHU ic50 = 49 nM SNL C24 H32 O4 S CC(=O)S[C@....
52 2AA5 - STR C21 H30 O2 CC(=O)[C@H....
53 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
54 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
55 2AAX - PDN C21 H26 O5 C[C@]12CC(....
56 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
57 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
58 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
59 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
60 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
61 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
62 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
63 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
64 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
65 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
66 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
67 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
68 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
69 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
70 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
71 3D90 - NOG C21 H28 O2 CC[C@]12CC....
72 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
73 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
74 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
75 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
76 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
77 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
78 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
79 4LTW - STR C21 H30 O2 CC(=O)[C@H....
80 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
81 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
82 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
83 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
84 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
85 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6QG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6QG 1 1
Ligand no: 2; Ligand: LYS SER LEU LEU GLN GLN LEU LEU THR GLU; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 1 1
2 LYS LEU VAL GLN LEU LEU THR THR THR 0.684783 0.9375
3 ASN SER THR LEU GLN 0.615385 0.877551
4 LYS THR LYS LEU LEU 0.595506 0.895833
5 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.586538 0.851852
6 LEU ALA SER LEU GLU SER GLN SER 0.568421 0.916667
7 LYS SER HIS GLN GLU 0.567308 0.724138
8 CYS THR GLU LEU LYS LEU SER ASP TYR 0.550847 0.836364
9 LEU LYS THR LYS LEU LEU 0.548387 0.895833
10 ALA LYS GLU LYS SER ASP 0.532609 0.875
11 ACE VAL LYS GLU SER LEU VAL 0.524752 0.916667
12 GLU ALA THR GLN LEU MET ASN 0.523364 0.807692
13 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.517857 0.921569
14 TYR GLN SER LYS LEU 0.514286 0.851852
15 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.513043 0.793103
16 THR LYS ASN TYR LYS GLN THR SER VAL 0.512821 0.854545
17 LYS GLN LYS 0.505882 0.75
18 LYS THR LYS 0.505882 0.833333
19 GLU ALA GLN THR ARG LEU 0.504587 0.814815
20 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.504132 0.821429
21 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.5 0.732143
22 THR ARG ARG GLU THR GLN LEU 0.5 0.851852
23 SER LEU LYS LEU MET THR THR VAL 0.495146 0.865385
24 ARG ARG ARG GLU THR GLN VAL 0.49505 0.796296
25 ALA ARG THR GLU LEU TYR ARG SER LEU 0.491803 0.783333
26 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.491071 0.8
27 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.490566 0.882353
28 SER LEU SER GLN SER LEU SER GLN SER 0.489583 0.895833
29 ALA SER ASN GLU ASN MET GLU THR MET 0.485714 0.814815
30 LYS GLN THR SER VAL 0.483871 0.895833
31 LYS LEU LYS 0.482353 0.791667
32 LYS GLU LYS 0.476744 0.729167
33 LYS SER LYS 0.47619 0.833333
34 ALA SER ASN GLU ASN ALA GLU THR MET 0.468468 0.814815
35 ALA SER ASN GLU ASP MET GLU THR MET 0.46789 0.814815
36 PHE LEU GLU LYS 0.466019 0.745098
37 ASP GLU THR ASN LEU 0.465347 0.82
38 ARG GLU ASP GLN GLU THR ALA VAL 0.462264 0.854167
39 GLU GLN TYR LYS PHE TYR SER VAL 0.457627 0.821429
40 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.454545 0.686567
41 SER GLU LEU GLU ILE LYS ARG TYR 0.452381 0.770492
42 ALA ILE PHE GLN SER SER MET THR LYS 0.452381 0.839286
43 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.450382 0.857143
44 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.449275 0.754098
45 SER LEU LEU LYS LYS LEU LEU ASP 0.44898 0.958333
46 ALA SER ASN GLU ASN ILE GLU THR MET 0.447368 0.8
47 LYS ALA VAL TYR ASN LEU ALA THR MET 0.446154 0.762712
48 SER LEU LYS ILE ASP ASN GLU ASP 0.445378 0.901961
49 ASN LEU LEU GLN LYS LYS 0.441176 0.795918
50 HIS GLU GLU LEU ALA LYS LEU 0.438776 0.791667
51 LYS SER LYS THR CMT GER 0.438596 0.836364
52 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.43662 0.709677
53 ALA ARG LYS LEU ASP 0.435644 0.777778
54 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.435115 0.77193
55 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.434426 0.759259
56 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.433333 0.793103
57 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.432836 0.766667
58 SER LEU LEU MET TRP ILE THR GLN SER 0.432836 0.703125
59 ASP GLU LEU GLU ILE LYS ALA TYR 0.432 0.763636
60 LEU GLU LYS ALA ARG GLY SER THR TYR 0.431655 0.786885
61 GLU LEU GLU LYS TRP ALA SER 0.430894 0.728814
62 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.429752 0.851852
63 LYS ALA LEU TYR ASN PHE ALA THR MET 0.428571 0.737705
64 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.428571 0.811321
65 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.428571 0.895833
66 SER LEU LEU MET TRP ILE THR GLN LEU 0.428571 0.703125
67 ALA LYS ALA SER GLN ALA ALA 0.427184 0.875
68 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.426087 0.814815
69 THR TYR LYS PHE PHE GLU GLN 0.422414 0.75
70 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.422414 0.75
71 GLU LYS VAL HIS VAL GLN 0.422414 0.672414
72 PRO THR SER SER GLU GLN ILE 0.421053 0.836364
73 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.421053 0.762712
74 LYS ALA SER VAL GLY 0.42 0.895833
75 PHE LEU SER THR LYS 0.419643 0.862745
76 ALA ARG THR MLY GLN 0.418182 0.754098
77 LYS SER ALA TPO THR THR VAL MET ASN PRO 0.418182 0.767857
78 PHE LEU SER TYR LYS 0.417391 0.785714
79 LEU PRO PHE GLU LYS SER THR VAL MET 0.416667 0.712121
80 VAL GLN GLN GLU SER SER PHE VAL MET 0.416667 0.8
81 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.416667 0.895833
82 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.416 0.779661
83 SER ILE ILE ASN PHE GLU LYS LEU 0.416 0.867925
84 GLY ASN PHE LEU GLN SER ARG 0.416 0.762712
85 LYS VAL LYS 0.41573 0.770833
86 ALA SER ASN GLU ASN TRP GLU THR MET 0.415385 0.6875
87 ALA ARG THR M3L GLN THR ALA ARG 0.415254 0.746032
88 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.414815 0.707692
89 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.414815 0.793103
90 MET ABA LEU ARG MET THR ALA VAL MET 0.414634 0.745763
91 GLU LEU ASP LYS TYR ALA SER 0.413223 0.833333
92 LYS ASN LEU 0.413043 0.836735
93 SER LEU LEU MET TRP ILE THR GLN CYS 0.413043 0.703125
94 LYS LEU THR PRO LEU CYS VAL THR LEU 0.412698 0.737705
95 SER GLN TYR TYR TYR ASN SER LEU 0.412281 0.77193
96 LYS MET ASN THR GLN PHE THR ALA VAL 0.412214 0.821429
97 GLU LEU LYS TPO GLU ARG TYR 0.412214 0.686567
98 ALA PRO ALA LEU ARG VAL VAL LYS 0.411215 0.740741
99 ALA ARG THR LYS GLN THR ALA ARG LYS 0.410256 0.814815
100 GLU ASN LEU TYR PHE GLN 0.410256 0.701754
101 ALA ARG THR LYS GLN THR ALA ARG 0.410256 0.814815
102 VAL THR THR ASP ILE GLN VAL LYS VAL 0.410256 0.918367
103 ALA SER ASN GLU HIS MET GLU THR MET 0.409449 0.725806
104 SER LEU LEU MET TRP ILE THR GLN ALA 0.408759 0.703125
105 LYS LYS LYS 0.406977 0.708333
106 SER LEU LYS ILE ASP ASN LEU ASP 0.40678 0.901961
107 SER LEU LEU MET TRP ILE THR GLN VAL 0.405797 0.703125
108 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.405594 0.703125
109 SER LEU ALA ASN THR VAL ALA THR LEU 0.405405 0.857143
110 MET CYS LEU ARG MET THR ALA VAL MET 0.404762 0.775862
111 LYS LYS LYS ALA 0.404494 0.729167
112 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.40411 0.652174
113 PHE GLU ALA LYS LYS LEU VAL 0.40404 0.791667
114 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.403226 0.746032
115 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.402778 0.741935
116 GLN ARG SER THR SEP THR 0.401709 0.721311
117 ARG GLN ALA SEP LEU SER ILE SER VAL 0.401515 0.725806
118 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.40146 0.766667
119 LYS VAL ILE THR PHE ILE ASP LEU 0.4 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L7G; Ligand: 6QE; Similar sites found: 194
This union binding pocket(no: 1) in the query (biounit: 5l7g.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RV5 DXC 0.00001543 0.47332 None
2 3KP6 SAL 0.01206 0.43002 None
3 3P9T TCL 0.005735 0.42897 None
4 1DTL BEP 0.006677 0.42142 None
5 4BVM PLM 0.004369 0.40769 None
6 4WG0 CHD 0.01993 0.40463 None
7 5N8V KZZ 0.02468 0.40161 None
8 4BVM VCA 0.005187 0.40144 None
9 1J78 OLA 0.01404 0.41484 0.983607
10 1XZ3 ICF 0.006438 0.43983 1.14943
11 5D9G GLU ASN LEU TYR PHE GLN 0.01942 0.40689 1.21951
12 4ETZ C2E 0.01552 0.41472 1.3468
13 5FUS DAO 0.01084 0.41132 1.74216
14 1DRJ RIP 0.005579 0.43853 1.84502
15 5J32 IPM 0.024 0.40768 1.96721
16 3GXO MQA 0.02405 0.40219 1.96721
17 1XMY ROL 0.02561 0.4008 1.96721
18 5F5R ANP 0.01132 0.41875 2.10084
19 5EY0 GTP 0.01042 0.41623 2.18978
20 3NMV PYV 0.002661 0.43178 2.24719
21 1QY8 RDI 0.001861 0.43887 2.29508
22 1A05 IPM 0.01746 0.41449 2.29508
23 4GVF NAG 0.01145 0.41018 2.29508
24 4GVF NDG 0.01145 0.41018 2.29508
25 3HPY MCT 0.02796 0.40292 2.29508
26 4IN9 SER TRP PHE PRO 0.02683 0.40642 2.40964
27 2C3Q GTX 0.006952 0.42058 2.42915
28 3AQT RCO 0.002497 0.46258 2.44898
29 3TL1 JRO 0.01935 0.41126 2.51572
30 4F4P 0SB 0.01587 0.41293 2.5641
31 4O4Z N2O 0.02021 0.42858 2.5974
32 3Q8G PEE 0.01383 0.41354 2.62295
33 4L77 CNL 0.02044 0.41002 2.62295
34 3QP8 HL0 0.005762 0.41644 2.71739
35 2Z77 NCA 0.006453 0.43598 2.8777
36 4WGF HX2 0.005754 0.43271 2.92683
37 2HHP FLC 0.00008028 0.58835 2.95082
38 1Q3A NGH 0.01794 0.4008 3.0303
39 5D9X GSH 0.02598 0.40653 3.04348
40 5KBE IPH 0.01962 0.41095 3.05677
41 3L1N PLM 0.02047 0.40999 3.09278
42 4MA6 28E 0.02709 0.40364 3.18471
43 5MOB A8S 0.01079 0.41547 3.27869
44 4RW3 TDA 0.01889 0.42219 3.31126
45 2UXI G50 0.008697 0.40137 3.33333
46 4XUB 43D 0.01587 0.40723 3.4188
47 4P3H 25G 0.001743 0.43193 3.62694
48 3NJQ NJQ 0.008074 0.40974 3.62694
49 5CHR 4NC 0.01559 0.41998 3.64964
50 2AOT 2PM 0.01308 0.41559 3.76712
51 3WBG 2AN 0.0121 0.40525 3.92157
52 3KB9 BTM 0.01088 0.40379 3.93443
53 5B25 4QJ 0.01558 0.40009 3.93443
54 2VWA PTY 0.02258 0.41582 3.9604
55 3BPX SAL 0.01959 0.41411 4.05405
56 2F2G HMH 0.006377 0.43975 4.0724
57 2Q4X HMH 0.009414 0.43112 4.0724
58 1RL4 BL5 0.002021 0.45578 4.25532
59 1RL4 BRR 0.01528 0.41659 4.25532
60 4DS8 A8S 0.001639 0.44587 4.2623
61 3OG9 MLT 0.02107 0.40483 4.30622
62 1WEI ADE 0.006355 0.43923 4.44444
63 5HZ9 5M8 0.004198 0.41523 4.44444
64 4FHT DHB 0.007045 0.43631 4.4586
65 3WCA FPS 0.00709 0.40202 4.59016
66 1TW4 CHD 0.007047 0.4203 4.8
67 2JAP J01 0.00679 0.42994 4.8583
68 4DOO DAO 0.01338 0.4032 4.87805
69 4URN NOV 0.03167 0.40293 4.88889
70 3KDJ A8S 0.003602 0.41814 4.91803
71 5KOD IAC 0.01314 0.41415 4.91803
72 4B1V LAB 0.01307 0.41139 4.91803
73 1SBR VIB 0.001554 0.4679 5
74 3G08 FEE 0.0179 0.40839 5.05051
75 4V3I ASP LEU THR ARG PRO 0.01246 0.42719 5.05837
76 5UGW GSH 0.002284 0.44355 5.14286
77 4OIC A8S 0.002632 0.432 5.2459
78 2IOR ADP 0.02863 0.40239 5.2459
79 3UP3 XCA 0.003766 0.40244 5.34979
80 4D1J DGJ 0.02066 0.41369 5.57377
81 3JRX S1A 0.00722 0.40835 5.57377
82 5UTQ OAN 0.01211 0.40166 5.57377
83 2WTN FER 0.02196 0.40419 5.57769
84 3E3U NVC 0.008899 0.41151 5.58376
85 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.004806 0.43273 5.71429
86 1TV5 N8E 0.003496 0.45796 5.90164
87 4C9G CXT 0.009795 0.40242 5.90164
88 3RET SAL 0.002669 0.43598 5.94059
89 3RET PYR 0.002669 0.43598 5.94059
90 3QYY C2E 0.01151 0.40627 5.98802
91 4MRP GSH 0.006619 0.44249 6.22951
92 4OB1 BUB 0.003792 0.45348 6.43777
93 3HP9 CF1 0.01291 0.42645 6.55738
94 3PUR 2HG 0.02431 0.40791 6.55738
95 4QXB OGA 0.02015 0.40609 6.55738
96 4URG C2E 0.01074 0.4303 6.58683
97 5BXV MGP 0.01338 0.41809 6.77083
98 1EJH M7G 0.006261 0.43612 6.84211
99 1EJ4 M7G 0.01601 0.4078 6.84211
100 4RKK GLC GLC GLC GLC GLC GLC 0.01337 0.40321 6.88525
101 5C9J DAO 0.008668 0.42016 7.07071
102 3K60 ADP 0.03009 0.40126 7.17489
103 5BQS 4VN 0.007643 0.40724 7.21311
104 2OCI TYC 0.03185 0.40198 7.21311
105 1MRH FMC 0.03074 0.40077 7.21311
106 3A8H TAY 0.0248 0.40722 7.24638
107 1K7L 544 0.0006538 0.42114 7.29167
108 5HWK BEZ 0.01945 0.40798 7.5
109 5UC9 MYR 0.006877 0.42967 7.52212
110 4RJD TFP 0.004683 0.44349 7.57576
111 2RKN LP3 0.009136 0.41098 7.79221
112 3ET3 ET1 0.00006305 0.48979 7.87671
113 5MES 7LT 0.01467 0.40501 8.02469
114 3T03 3T0 0.0005389 0.41541 8.09859
115 3B1M KRC 0.003604 0.4112 8.12721
116 4HEE 14R 0.001919 0.42631 8.15603
117 2XCM ADP 0.01163 0.40606 8.41121
118 2PRG BRL 0.00001421 0.52918 8.48709
119 3G9E RO7 0.00005279 0.5016 8.48709
120 2BP1 FLC 0.01525 0.40547 8.52459
121 1TUU AMP 0.02538 0.401 8.52459
122 3K8L CEY 0.01027 0.41463 8.66966
123 5V49 MET 0.01939 0.40693 9.18033
124 3KFF XBT 0.03054 0.40092 9.25926
125 3KFF ZBT 0.03054 0.40092 9.25926
126 5MWE TCE 0.01436 0.41798 10
127 3EC1 GDP 0.01476 0.40487 10.1639
128 1N4H REA 0.00306 0.41088 10.4247
129 2RH1 CAU 0.008941 0.40419 10.4918
130 1YOK P6L 0.0000002555 0.60514 10.9375
131 1NQ7 ARL 0.004753 0.40943 11.0656
132 1N83 CLR 0.0008746 0.42264 11.1111
133 5UNJ RJW 0.000007036 0.5494 11.4286
134 1ZDU P3A 0.000009095 0.49075 11.4286
135 4FLP JQ1 0.03563 0.40131 11.7647
136 5N17 8FK 0.008114 0.41393 12.3188
137 3ROE THM 0.01777 0.40885 12.4528
138 2WT9 NIO 0.02749 0.40449 12.766
139 3G4Q MCH 0.0125 0.40835 13.0137
140 5OCA 9QZ 0.0032 0.47085 13.4921
141 1YC4 43P 0.0004652 0.47675 13.6364
142 2GBB CIT 0.0151 0.41243 14.1026
143 2CB8 MYA 0.01493 0.42157 14.9425
144 1M13 HYF 0.0002206 0.47186 15.4098
145 1NRL SRL 0.0007774 0.44311 15.4098
146 1ECM TSA 0.0202 0.40604 15.5963
147 4B7P 9UN 0.01554 0.4057 15.6522
148 5XNA SHV 0.01198 0.42393 17.3913
149 4WPF 3SN 0.000865 0.43345 19.3182
150 2LBD REA 0.00004586 0.47265 21.3483
151 1XAP TTB 0.00002146 0.50982 22.0974
152 4DM8 REA 0.00003206 0.49227 22.0974
153 3KMR EQN 0.00001588 0.52108 22.5564
154 3ET1 ET1 0.0001782 0.44284 23.2787
155 3KO0 TFP 0.007898 0.42351 23.7624
156 4QJR PIZ 0.000005414 0.50098 24.0816
157 1FCZ 156 0.00003231 0.48496 24.2553
158 1ZDT PEF 0.000001024 0.51896 24.4813
159 3KDU NKS 0.0001328 0.50051 25.6318
160 1DB1 VDX 0.00004671 0.43419 26.2548
161 3FEI CTM 0.0005674 0.43493 26.5918
162 2P54 735 0.0008915 0.4166 26.5918
163 4DK7 0KS 0.0000204 0.51633 28.3401
164 1YYE 196 0.00000000005636 0.79417 29.4776
165 1YP0 PEF 0.000003971 0.52955 29.7071
166 3BEJ MUF 0.00000178 0.54387 30.6723
167 1YMT DR9 0.000005189 0.53578 30.8943
168 3OKI OKI 0.00002829 0.40367 30.9013
169 3DCT 064 0.000005815 0.50547 31.0638
170 1PZL MYR 0.00000008606 0.62815 31.2236
171 3RUU 37G 0.000003936 0.48932 31.8777
172 5ICK FEZ 0.0001128 0.48389 31.8777
173 2QA8 GEN 0.00000000002581 0.81 32.1705
174 2QZO KN1 0.00000000001818 0.78061 32.1705
175 3FS1 MYR 0.0000001073 0.55621 32.1739
176 1G2N EPH 0.00002708 0.48714 32.5758
177 2BJ4 OHT 0.000000000011 0.77893 32.9365
178 5AAV GW5 0.0000000003091 0.4634 32.9365
179 3UUD EST 0.000000000002295 0.85905 33.0677
180 3UU7 2OH 0.00000000004899 0.85442 33.0677
181 3UUA 0CZ 0.0000000002561 0.78876 33.0677
182 1HG4 LPP 0.000001942 0.50783 33.3333
183 2QE4 JJ3 0.0000000003741 0.47281 33.4677
184 1FBY REA 0.0000003 0.56587 35.5649
185 1FM9 9CR 0.00000001178 0.64931 35.7143
186 1FM9 570 0.0002684 0.41533 35.7143
187 1DKF OLA 0.0000001212 0.63867 36.4807
188 1DKF BMS 0.000001516 0.54674 36.4807
189 4POJ 2VP 0.000000003409 0.64363 36.7965
190 4M8E 29V 0.00000001135 0.63411 36.7965
191 2I0G I0G 0.0000000001377 0.48926 36.965
192 3H0A 9RA 0.0000000206 0.6011 37.2807
193 3H0A D30 0.006605 0.40332 37.2807
194 1U3R 338 0.00000000001398 0.79725 39.4191
Pocket No.: 2; Query (leader) PDB : 5L7G; Ligand: LYS SER LEU LEU GLN GLN LEU LEU THR GLU; Similar sites found: 41
This union binding pocket(no: 2) in the query (biounit: 5l7g.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KP6 SAL 0.02577 0.40412 None
2 1XZ3 ICF 0.008062 0.4394 1.14943
3 4RC8 STE 0.0112 0.41899 1.35135
4 3ETG GWD 0.0006665 0.42029 1.96721
5 5XDT GDP 0.01567 0.41748 2.29508
6 3TDC 0EU 0.002495 0.48786 2.62295
7 2YFB SIN 0.01564 0.40666 2.62295
8 4UMJ BFQ 0.01442 0.40386 2.7027
9 2YNC YNC 0.04605 0.40211 2.95082
10 5FH7 5XL 0.01033 0.40238 3.22581
11 3CV2 COA 0.01492 0.40621 3.27869
12 4RW3 PLM 0.006241 0.44548 3.31126
13 1CMC SAM 0.009694 0.42821 3.84615
14 2VWA PTY 0.01079 0.42079 3.9604
15 1RL4 BL5 0.0003343 0.4433 4.25532
16 3WCA FPS 0.03104 0.40465 4.59016
17 3MBG FAD 0.02056 0.41004 4.91803
18 1SBR VIB 0.01265 0.4027 5
19 4V3I ASP LEU THR ARG PRO 0.01016 0.41592 5.05837
20 5UGW GSH 0.03055 0.40083 5.14286
21 2Z9I GLY ALA THR VAL 0.0188 0.40384 5.24691
22 1T0S BML 0.007118 0.41951 5.81395
23 3RYC GDP 0.02529 0.40403 5.90164
24 4MRP GSH 0.02161 0.41066 6.22951
25 3HP9 CF1 0.004413 0.43454 6.55738
26 4COL DTP 0.01696 0.40104 6.55738
27 5U98 1KX 0.03578 0.42388 7.07071
28 5V4R MGT 0.01331 0.40582 7.40741
29 1VLH PNS 0.02028 0.40095 8.09249
30 2FP2 TSA 0.006799 0.42455 8.43373
31 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.005322 0.4149 8.85246
32 5HCN DAO 0.002206 0.43984 9.1954
33 5MWE TCE 0.01423 0.40018 10
34 5L2J 6UL 0.03241 0.42939 10.2041
35 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.000000003254 0.71121 11.0656
36 3DTU DXC 0.009376 0.4106 11.1475
37 1M13 HYF 0.03602 0.40359 15.4098
38 2EW5 Y12 0.005165 0.43047 16.0221
39 3ET1 ET1 0.01746 0.40235 23.2787
40 3KDU NKS 0.04439 0.40488 25.6318
41 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.00000001364 0.62075 32.1739
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