Receptor
PDB id Resolution Class Description Source Keywords
1T4F 1.9 Å EC: 6.3.2.- STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH AN OPTIMIZED P53 PEPTIDE HOMO SAPIENS MDM2-P53 PEPTIDE COMPLEX P53-BINDING PROTEIN MDM2 ONCOPROTEIN MDM2 DOUBLE MINUTE 2 PROTEIN HDM2 LIGASE
Ref.: DISCOVERY AND COCRYSTAL STRUCTURE OF BENZODIAZEPINEDIONE HDM2 ANTAGONISTS THAT ACTIVATE P53 IN CELLS J.MED.CHEM. V. 48 909 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG PHE MET ASP TYR TRP GLU GLY LEU P:18;
Valid;
none;
submit data
1215.38 n/a S(CCC...
SO4 M:126;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HBM 1.9 Å EC: 6.3.2.- ORDERING OF THE N TERMINUS OF HUMAN MDM2 BY SMALL MOLECULE I HOMO SAPIENS MDM2 P53 PROTEIN PROTEIN INTERACTION INHIBITOR LIGASE-LIINHIBITOR COMPLEX
Ref.: ORDERING OF THE N-TERMINUS OF HUMAN MDM2 BY SMALL M INHIBITORS. J.AM.CHEM.SOC. V. 134 17059 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
2 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
3 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
4 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
5 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
6 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
70% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3JZK ic50 = 1.23 uM YIN C24 H16 Br2 N4 O c1ccc2c(c1....
2 4JV7 ic50 = 1 uM 1MN C24 H21 Br2 N O2 CN1[C@@H](....
3 4JVR ic50 = 9.4 nM 1MT C25 H29 Cl2 F N4 O2 CC(C)(C)C[....
4 5LN2 ic50 = 0.13 nM 6ZT C32 H34 Cl2 N4 O3 Cc1cc(ccc1....
5 4ZFI Kd = 0.5 uM 4NJ C27 H21 Cl3 N2 O2 CN1C(=O)C(....
6 4ZYF Ki = 1.3 nM 4T4 C38 H47 Cl N4 O4 CC(C)Oc1cc....
7 4DIJ ic50 = 0.03 uM BLF C31 H29 Cl2 N5 O2 c1ccc(cc1)....
8 4ZYI ic50 = 0.008 uM 4TH C33 H34 Cl N3 O3 CC[C@@H](C....
9 5HMH ic50 = 0.007 uM 62R C35 H38 F6 N4 O6 S CCC[C@@H]1....
10 4OAS Kd = 0.045 nM 2SW C28 H35 Cl2 N O5 S CC[C@@H](C....
11 4ERF ic50 = 1.1 nM 0R3 C25 H29 Cl2 N O4 CC[C@@H]([....
12 4ZYC ic50 = 0.38 uM 4SS C28 H28 Cl N5 O4 CCOc1cc2c(....
13 4OCC ic50 = 2 nM 2TZ C26 H31 Cl2 N O6 S CC[C@@H](C....
14 3LBL Ki = 36 nM MI6 C29 H35 Cl2 F N4 O3 CC(C)(C)C[....
15 4MDN Ki = 0.6 uM Y30 C30 H29 Cl2 N3 O5 CC(C)(C)NC....
16 5OC8 - 9QW C26 H24 Cl2 N6 O4 CC(C)n1c2c....
17 6I3S - H28 C23 H18 Cl2 F N3 O2 c1cc(c(c(c....
18 5HMI ic50 = 0.015 uM 62T C33 H36 F6 N4 O5 S CCC[C@@H]1....
19 4MDQ Ki = 1.2 uM 28W C24 H28 Cl N5 O5 CC(C)C[C@@....
20 4HG7 ic50 = 90 nM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
21 3W69 ic50 = 8.3 nM LTZ C36 H43 Cl2 N5 O3 S CC[C@@H]1C....
22 4OQ3 ic50 = 0.008 uM 2V8 C24 H18 Cl2 N2 O2 Cc1cccc(c1....
23 4JV9 ic50 = 1.8 uM 1MO C24 H21 Cl2 N O2 CN1[C@@H](....
24 4QOC ic50 = 0.12 nM 35T C29 H34 Cl2 N2 O5 S C[C@@]1(C[....
25 4OGV ic50 = 9 nM 2U7 C26 H31 Cl2 N O6 S CC[C@@H](C....
26 4ZGK Kd = 3.1 uM 4NX C26 H18 Cl3 N O3 c1cc(ccc1C....
27 4OBA ic50 = 0.4 nM 2TW C27 H31 Cl2 N O6 S CC(C)(C)S(....
28 4JVE ic50 = 0.086 uM 1MQ C28 H24 Cl2 F N O4 C/C=C/[C@H....
29 4JWR ic50 = 0.61 uM 1MY C22 H23 Cl2 N O5 CC[C@@H](C....
30 6GGN ic50 = 0.08 nM EYH C28 H27 Cl2 N5 O3 Cc1ccc(cc1....
31 4ERE ic50 = 4.2 nM 0R2 C27 H31 Cl2 N O5 CC[C@@H](C....
32 4QO4 ic50 = 0.005 uM 35S C31 H32 Cl2 N2 O3 CC[C@@H](c....
33 4LWU ic50 = 0.005 uM 20U C30 H29 Cl2 F N4 O3 CC(C)(C)C[....
34 4LWV ic50 = 7 nM 20W C29 H29 Cl2 F N4 O4 S CC(C)(C)C[....
35 4J74 Kd = 26 uM I18 C16 H14 Cl2 N2 CC1=N[C@H]....
36 4IPF ic50 = 18 nM 1F0 C38 H48 Cl2 N4 O4 S CCOc1cc(cc....
37 4J7D Kd = 20 uM I31 C29 H32 Cl2 N2 O CCOc1cc(cc....
38 4J3E ic50 = 0.088 uM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
39 4JSC ic50 = 56 nM 1OY C27 H31 Cl2 F2 N3 O3 CC(C)(C)C[....
40 4JRG ic50 = 196 nM I09 C27 H33 Cl2 N3 O3 CC(C)(C)C[....
41 4J7E Kd = 14 uM I29 C27 H34 Cl2 N4 O3 S CC1=N[C@@]....
42 4LWT ic50 = 3.9 uM 20Q C22 H22 Cl2 N2 O2 CC(=O)N1CC....
43 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
44 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
45 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
46 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
47 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
48 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
49 2GV2 ic50 = 5 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU n/a n/a
50 5HMK ic50 = 0.04 uM 62Q C35 H38 F6 N4 O5 CCC[C@@H]1....
51 5TRF Ki = 0.88 nM 7HC C29 H34 Cl2 F N3 O3 CC(C)(C)C[....
52 4WT2 Kd = 39 pM 3UD C37 H41 Cl2 F N2 O7 S C[C@@]1(C[....
53 4OGT ic50 = 0.1 nM 2U6 C33 H36 Cl2 N2 O6 S C[C@]1(C(=....
54 1RV1 ic50 = 0.14 uM IMZ C31 H34 Br2 N4 O4 CCOc1cc(cc....
55 4ODF ic50 = 0.1 nM 2U1 C33 H36 Cl2 N2 O6 S C[C@@]1(C(....
56 4ODE ic50 = 0.1 nM 2U0 C33 H37 Cl2 F N2 O5 S2 C[C@@]1(C[....
57 4OGN ic50 = 0.1 nM 2U5 C34 H38 Cl2 N2 O5 S C[C@@]1(C[....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3JZK ic50 = 1.23 uM YIN C24 H16 Br2 N4 O c1ccc2c(c1....
2 4JV7 ic50 = 1 uM 1MN C24 H21 Br2 N O2 CN1[C@@H](....
3 4JVR ic50 = 9.4 nM 1MT C25 H29 Cl2 F N4 O2 CC(C)(C)C[....
4 5LN2 ic50 = 0.13 nM 6ZT C32 H34 Cl2 N4 O3 Cc1cc(ccc1....
5 4ZFI Kd = 0.5 uM 4NJ C27 H21 Cl3 N2 O2 CN1C(=O)C(....
6 4ZYF Ki = 1.3 nM 4T4 C38 H47 Cl N4 O4 CC(C)Oc1cc....
7 4DIJ ic50 = 0.03 uM BLF C31 H29 Cl2 N5 O2 c1ccc(cc1)....
8 4ZYI ic50 = 0.008 uM 4TH C33 H34 Cl N3 O3 CC[C@@H](C....
9 5HMH ic50 = 0.007 uM 62R C35 H38 F6 N4 O6 S CCC[C@@H]1....
10 4OAS Kd = 0.045 nM 2SW C28 H35 Cl2 N O5 S CC[C@@H](C....
11 4ERF ic50 = 1.1 nM 0R3 C25 H29 Cl2 N O4 CC[C@@H]([....
12 4ZYC ic50 = 0.38 uM 4SS C28 H28 Cl N5 O4 CCOc1cc2c(....
13 4OCC ic50 = 2 nM 2TZ C26 H31 Cl2 N O6 S CC[C@@H](C....
14 3LBL Ki = 36 nM MI6 C29 H35 Cl2 F N4 O3 CC(C)(C)C[....
15 4MDN Ki = 0.6 uM Y30 C30 H29 Cl2 N3 O5 CC(C)(C)NC....
16 5OC8 - 9QW C26 H24 Cl2 N6 O4 CC(C)n1c2c....
17 6I3S - H28 C23 H18 Cl2 F N3 O2 c1cc(c(c(c....
18 5HMI ic50 = 0.015 uM 62T C33 H36 F6 N4 O5 S CCC[C@@H]1....
19 4MDQ Ki = 1.2 uM 28W C24 H28 Cl N5 O5 CC(C)C[C@@....
20 4HG7 ic50 = 90 nM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
21 3W69 ic50 = 8.3 nM LTZ C36 H43 Cl2 N5 O3 S CC[C@@H]1C....
22 4OQ3 ic50 = 0.008 uM 2V8 C24 H18 Cl2 N2 O2 Cc1cccc(c1....
23 4JV9 ic50 = 1.8 uM 1MO C24 H21 Cl2 N O2 CN1[C@@H](....
24 4QOC ic50 = 0.12 nM 35T C29 H34 Cl2 N2 O5 S C[C@@]1(C[....
25 4OGV ic50 = 9 nM 2U7 C26 H31 Cl2 N O6 S CC[C@@H](C....
26 4ZGK Kd = 3.1 uM 4NX C26 H18 Cl3 N O3 c1cc(ccc1C....
27 4OBA ic50 = 0.4 nM 2TW C27 H31 Cl2 N O6 S CC(C)(C)S(....
28 4JVE ic50 = 0.086 uM 1MQ C28 H24 Cl2 F N O4 C/C=C/[C@H....
29 4JWR ic50 = 0.61 uM 1MY C22 H23 Cl2 N O5 CC[C@@H](C....
30 6GGN ic50 = 0.08 nM EYH C28 H27 Cl2 N5 O3 Cc1ccc(cc1....
31 4ERE ic50 = 4.2 nM 0R2 C27 H31 Cl2 N O5 CC[C@@H](C....
32 4QO4 ic50 = 0.005 uM 35S C31 H32 Cl2 N2 O3 CC[C@@H](c....
33 4LWU ic50 = 0.005 uM 20U C30 H29 Cl2 F N4 O3 CC(C)(C)C[....
34 4LWV ic50 = 7 nM 20W C29 H29 Cl2 F N4 O4 S CC(C)(C)C[....
35 4J74 Kd = 26 uM I18 C16 H14 Cl2 N2 CC1=N[C@H]....
36 4IPF ic50 = 18 nM 1F0 C38 H48 Cl2 N4 O4 S CCOc1cc(cc....
37 4J7D Kd = 20 uM I31 C29 H32 Cl2 N2 O CCOc1cc(cc....
38 4J3E ic50 = 0.088 uM NUT C30 H30 Cl2 N4 O4 CC(C)Oc1cc....
39 4JSC ic50 = 56 nM 1OY C27 H31 Cl2 F2 N3 O3 CC(C)(C)C[....
40 4JRG ic50 = 196 nM I09 C27 H33 Cl2 N3 O3 CC(C)(C)C[....
41 4J7E Kd = 14 uM I29 C27 H34 Cl2 N4 O3 S CC1=N[C@@]....
42 4LWT ic50 = 3.9 uM 20Q C22 H22 Cl2 N2 O2 CC(=O)N1CC....
43 5J7F - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
44 4HBM Kd = 8.2 nM 0Y7 C23 H25 Cl2 N O4 CC[C@@H](C....
45 3TU1 Ki = 0.25 uM 07G C23 H21 Cl F2 N3 O4 CC(C)(C)NC....
46 2AXI ic50 = 140 nM PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR n/a n/a
47 5J7G - 6GG C35 H33 Cl2 F N4 O5 c1cc(ccc1C....
48 1T4F - ARG PHE MET ASP TYR TRP GLU GLY LEU n/a n/a
49 3U15 ic50 = 41 nM 03M C20 H14 Cl F2 N3 O2 Cc1c(ccc2c....
50 3FE7 Kd = 75 nM ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 n/a n/a
51 3FEA Kd = 36 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 n/a n/a
52 2GV2 ic50 = 5 nM ACE PHE MET AIB PM3 6CW GLU 1AC LEU n/a n/a
53 5HMK ic50 = 0.04 uM 62Q C35 H38 F6 N4 O5 CCC[C@@H]1....
54 5TRF Ki = 0.88 nM 7HC C29 H34 Cl2 F N3 O3 CC(C)(C)C[....
55 4WT2 Kd = 39 pM 3UD C37 H41 Cl2 F N2 O7 S C[C@@]1(C[....
56 4OGT ic50 = 0.1 nM 2U6 C33 H36 Cl2 N2 O6 S C[C@]1(C(=....
57 1RV1 ic50 = 0.14 uM IMZ C31 H34 Br2 N4 O4 CCOc1cc(cc....
58 4ODF ic50 = 0.1 nM 2U1 C33 H36 Cl2 N2 O6 S C[C@@]1(C(....
59 4ODE ic50 = 0.1 nM 2U0 C33 H37 Cl2 F N2 O5 S2 C[C@@]1(C[....
60 4OGN ic50 = 0.1 nM 2U5 C34 H38 Cl2 N2 O5 S C[C@@]1(C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG PHE MET ASP TYR TRP GLU GLY LEU; Similar ligands found: 167
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG PHE MET ASP TYR TRP GLU GLY LEU 1 1
2 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.654088 0.882353
3 ILE ASP TRP PHE GLU GLY LYS GLU 0.601266 0.742857
4 ILE ASP TRP PHE ASP GLY LYS GLU 0.58125 0.742857
5 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.57764 0.895522
6 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.570513 0.746479
7 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.564417 0.8
8 MET LEU ILE TYR SER MET TRP GLY LYS 0.563218 0.835616
9 ILE ASP TRP PHE ASP GLY LYS ASP 0.55 0.742857
10 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.549708 0.849315
11 ARG GLY TYR LEU TYR GLN GLY LEU 0.549669 0.835821
12 ARG TYR PRO LEU THR PHE GLY TRP 0.549451 0.818182
13 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.54717 0.8
14 SER TRP PHE GLN THR ASP LEU 0.54375 0.732394
15 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.541899 0.861111
16 GLY LEU MET TRP LEU SER TYR PHE VAL 0.539877 0.857143
17 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.535484 0.8
18 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.53125 0.820513
19 ARG LEU TRP SER 0.530612 0.811594
20 ASP SER TRP LYS ASP GLY CYS TYR 0.526946 0.75
21 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.52381 0.838235
22 ARG GLY TYR VAL TYR GLN GLY LEU 0.522293 0.835821
23 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.521739 0.771429
24 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.520468 0.808219
25 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.517045 0.788732
26 GLU LEU ARG ARG LYS MET MET TYR MET 0.515924 0.814286
27 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.514793 0.714286
28 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.513812 0.74359
29 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.512821 0.807692
30 ARG PHE PRO LEU THR PHE GLY TRP 0.510989 0.792208
31 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.509434 0.816901
32 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.509434 0.823529
33 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.509202 0.788732
34 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.508772 0.708333
35 SER LEU ARG PHE LEU TYR GLU GLY 0.506329 0.814286
36 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.506024 0.777778
37 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.5 0.794872
38 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.5 0.822785
39 GLU LEU ASP HOX TRP ALA SER 0.496933 0.708333
40 PHE TYR ARG ALA LEU MET 0.496855 0.865672
41 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.494681 0.753247
42 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.494118 0.859155
43 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.49162 0.805556
44 SER SER VAL VAL GLY VAL TRP TYR LEU 0.490909 0.760563
45 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.489796 0.716418
46 ASP GLU ASP LYS TRP ASP ASP PHE 0.487013 0.695652
47 SER ASP TYR GLN ARG LEU 0.486667 0.80597
48 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.484694 0.776316
49 SER SER VAL ILE GLY VAL TRP TYR LEU 0.482353 0.75
50 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.482233 0.794872
51 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.482143 0.757143
52 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.481481 0.74359
53 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.481081 0.670886
54 SER ARG TYR TRP ALA ILE ARG THR ARG 0.480226 0.821918
55 GLU LEU ASN ARG LYS MET ILE TYR MET 0.48 0.805556
56 ARG TYR GLY PHE VAL ALA ASN PHE 0.478788 0.811594
57 GLU LEU ASP ORN TRP ALA SER 0.478528 0.742857
58 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.477419 0.753425
59 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.47619 0.808824
60 GLU LEU ASP NRG TRP ALA SER 0.473988 0.725
61 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.473118 0.805556
62 ARG THR PHE SER PRO THR TYR GLY LEU 0.47191 0.782051
63 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.471338 0.657143
64 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.470588 0.722222
65 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.470588 0.808824
66 PHE ARG TYR LEU GLY 0.470588 0.835821
67 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.470588 0.823529
68 GLU LEU LYS ARG LYS MET ILE TYR MET 0.470588 0.814286
69 ALA SER ASN GLU ASN TRP GLU THR MET 0.469512 0.763889
70 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.469136 0.75
71 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.46875 0.679487
72 MET ASP TRP ASN MET HIS ALA ALA 0.467456 0.746479
73 GLU LEU ASP LYS TRP ALA SER 0.466667 0.732394
74 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.466667 0.7125
75 GLU LEU ASP LYS TRP ALA GLY 0.466258 0.73913
76 GLU LEU ASP LYS TRP ALA ASN 0.463855 0.71831
77 ARG GLY TYR VAL TYR ESC GLY LEU GAL GLA 0.463542 0.75641
78 ASP PHE GLU ASP TYR GLU PHE ASP 0.462585 0.652174
79 ACE ASN TRP GLU THR PHE 0.4625 0.666667
80 ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 0.462366 0.692308
81 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.461988 0.620253
82 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.461111 0.714286
83 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.455621 0.742857
84 ALA LEU ASP LYS TRP ASP 0.455128 0.73913
85 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.451807 0.714286
86 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.45 0.833333
87 GLU LEU ASP HIS TRP ALA SER 0.449704 0.708333
88 01W ARG TRP THR DAB MET LEU GLY 0.449198 0.72093
89 TYR GLU TRP 0.44898 0.701493
90 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.448087 0.833333
91 ASP ALA ASP GLU TYR LEU 0.446667 0.647059
92 GLU GLN ASP LYS TRP ALA SER 0.446429 0.680556
93 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.445652 0.863014
94 GLN GLU GLU TRP SEP THR VAL MET 0.445087 0.717949
95 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.445055 0.693333
96 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.445 0.797468
97 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.444444 0.777778
98 ASN ASP TRP LEU LEU PRO SER TYR 0.443243 0.7125
99 GLY GLY LYS LYS ARG TYR LYS LEU 0.443038 0.782609
100 GLY GLY LYS LYS LYS TYR ARG LEU 0.443038 0.782609
101 GLY GLY ARG LYS LYS TYR LYS LEU 0.443038 0.782609
102 TRP GLU GLU LEU 0.441379 0.701493
103 GLU ASN ASP LYS TRP ALA SER 0.440476 0.671233
104 GLU ALA ASP LYS TRP GLN SER 0.440476 0.680556
105 GLU LEU GLU LYS TRP ALA SER 0.439759 0.71831
106 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.439759 0.7
107 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.438596 0.708333
108 ARG PRO MET THR TYR LYS GLY ALA LEU 0.4375 0.807692
109 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.436709 0.661972
110 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.436548 0.802632
111 SER LEU LEU MET TRP ILE THR GLN LEU 0.433526 0.777778
112 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.433333 0.739726
113 ARG PRO MET THR PHE LYS GLY ALA LEU 0.432292 0.769231
114 ALA LEU ASP LYS TRP ALA SER 0.430303 0.732394
115 GLU ASN LEU TYR PHE GLN 0.429487 0.681159
116 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.429448 0.720588
117 ARG HIS LYS ALY LEU MET PHE LYS 0.429379 0.788732
118 ARG ARG PHE AIB ALA MET LEU ALA 0.428571 0.71831
119 ALA ARG THR GLU LEU TYR ARG SER LEU 0.428571 0.75
120 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.428571 0.788732
121 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.428571 0.657534
122 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.427027 0.693333
123 ARG VAL LEU PHE GLU ALA MET 0.426035 0.753623
124 ACE PHE MET AIB PM3 6CW GLU 1AC LEU 0.425641 0.646341
125 ASP TRP GLU ILE VAL 0.424051 0.691176
126 ARG ARG ARG ARG SER TRP TYR 0.423077 0.722222
127 ACE PHE ASP GLU MET GLU GLU CYS 0.422819 0.637681
128 THR ASN GLU PHE TYR PHE 0.421769 0.608696
129 ASP ALA GLU PHE ARG HIS ASP 0.421384 0.701493
130 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.420765 0.794521
131 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.419689 0.773333
132 TRP GLU TYR ILE PRO ASN VAL 0.419355 0.717949
133 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.418182 0.680556
134 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.418182 0.608108
135 ASP ALA GLU PHE ARG HIS ASP SER 0.417647 0.768116
136 LEU GLU LYS ALA ARG GLY SER THR TYR 0.417582 0.753425
137 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.417178 0.771429
138 PRO ALA TRP ASP GLU THR ASN LEU 0.416667 0.739726
139 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.416667 0.690141
140 SER LEU LEU MET TRP ILE THR GLN CYS 0.41573 0.777778
141 TYR GLY GLY PHE MET 0.415584 0.75
142 SER HIS PHE ASN GLU TYR GLU 0.415205 0.69863
143 SER LEU LEU MET TRP ILE THR GLN SER 0.414773 0.777778
144 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.414365 0.75
145 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.413408 0.607595
146 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.413408 0.704225
147 SER GLU ILE GLU PHE ALA ARG LEU 0.411765 0.704225
148 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.41 0.75
149 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.409836 0.84
150 LEU PRO PHE ASP ARG THR THR ILE MET 0.409574 0.759494
151 SER SER ARG LYS GLU TYR TYR ALA 0.408805 0.768116
152 8LR GLY TRP TYR XSN 0.408046 0.619048
153 TYR GLY GLY PHE LEU 0.407895 0.705882
154 MET TRP ARG PRO TRP 0.407821 0.76
155 LYS ALA LEU TYR ASN PHE ALA THR MET 0.40678 0.75
156 GLU ARG GLY MET THR 0.405229 0.75
157 SER SER ILE GLU PHE ALA ARG LEU 0.404624 0.694444
158 SER LEU LEU MET TRP ILE THR GLN ALA 0.404494 0.777778
159 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.404255 0.723684
160 ACE GLU TRP TRP TRP 0.40411 0.623188
161 GLU LEU LYS TPO GLU ARG TYR 0.403409 0.692308
162 GLU ASN GLN LYS GLU TYR PHE PHE 0.402516 0.647887
163 ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 0.40201 0.658537
164 GLY ASN PHE LEU GLN SER ARG 0.401198 0.708333
165 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.401163 0.681159
166 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.4 0.723684
167 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.4 0.696203
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4hbm.bio3) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4HBM; Ligand: 0Y7; 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: 4hbm.bio11) has 57 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4hbm.bio11) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4hbm.bio5) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4hbm.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4hbm.bio10) has 57 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4hbm.bio10) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4hbm.bio6) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4hbm.bio2) has 53 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4hbm.bio8) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4hbm.bio7) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4hbm.bio9) has 78 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4hbm.bio9) has 79 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4hbm.bio12) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4hbm.bio12) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4HBM; Ligand: 0Y7; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4hbm.bio4) has 55 residues
No: Leader PDB Ligand Sequence Similarity
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