Receptor
PDB id Resolution Class Description Source Keywords
1EB1 1.8 Å EC: 3.4.21.5 COMPLEX STRUCTURE OF HUMAN THROMBIN WITH N-METHYL-ARGININE I SYNTHETIC CONSTRUCT SERINE PROTEINASE BLOOD COAGULATION CALCIUM-BINDING GLYCOKRINGLE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: THE METHYL GROUP OF N(ALPHA)(ME)ARG-CONTAINING PEPT DISTURBS THE ACTIVE-SITE GEOMETRY OF THROMBIN, IMPA EFFICIENT CLEAVAGE J.MOL.BIOL. V. 316 869 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE A:10;
Valid;
none;
submit data
1205.24 n/a O=C([...
ZAL PRO MMO B:1;
Valid;
none;
Ki = 37 pM
424.59 n/a O=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EB1 1.8 Å EC: 3.4.21.5 COMPLEX STRUCTURE OF HUMAN THROMBIN WITH N-METHYL-ARGININE I SYNTHETIC CONSTRUCT SERINE PROTEINASE BLOOD COAGULATION CALCIUM-BINDING GLYCOKRINGLE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: THE METHYL GROUP OF N(ALPHA)(ME)ARG-CONTAINING PEPT DISTURBS THE ACTIVE-SITE GEOMETRY OF THROMBIN, IMPA EFFICIENT CLEAVAGE J.MOL.BIOL. V. 316 869 2002
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
70% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
19 1ETR - MIT C23 H37 N6 O5 S C[C@@H]1CC....
20 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]/N=C(/c....
21 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
22 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
23 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
24 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
25 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
26 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
27 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
29 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
31 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
32 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
33 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
34 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
35 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
36 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
37 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
38 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
39 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
40 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
41 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
43 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
45 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
46 1XMN - SGN IDS SGN IDS SGN n/a n/a
47 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
48 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
49 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
50 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
51 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
52 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
53 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
54 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
50% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
19 1UVT Ki = 0.023 uM I48 C20 H22 N3 O3 S Cc1cc(cc(c....
20 1ETT Ki = 1.3 uM 0ZG C22 H28 N4 O3 S [H]/N=C(/c....
21 1ETR - MIT C23 H37 N6 O5 S C[C@@H]1CC....
22 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]/N=C(/c....
23 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
24 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
25 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
26 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
27 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
29 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
32 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
33 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
34 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
35 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
36 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
37 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
38 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
39 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
40 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
41 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
43 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
45 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
46 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
47 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 1XMN - SGN IDS SGN IDS SGN n/a n/a
49 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
50 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
51 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
52 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
53 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
54 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
55 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
56 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 1 1
2 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.716535 0.888889
3 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.673611 0.9375
4 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.621622 0.794872
5 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.619355 0.953846
6 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.611465 0.895522
7 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.591837 0.893939
8 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.585987 0.913043
9 TRP ASP ILE PRO PHE 0.585938 0.857143
10 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.585938 0.857143
11 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.569536 0.911765
12 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.567742 0.859375
13 LEU PRO SER PHE GLU THR ALA LEU 0.563758 0.823529
14 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.559006 0.775
15 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.540881 0.882353
16 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.539877 0.938462
17 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.538462 0.826667
18 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.536585 0.873239
19 LEU PRO PHE GLU ARG ALA THR ILE MET 0.523529 0.74026
20 GLN MET PRO THR GLU ASP GLU TYR 0.522293 0.869565
21 TRP GLU TYR ILE PRO ASN VAL 0.521212 0.911765
22 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.518072 0.984375
23 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.518072 0.940298
24 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.515528 0.873239
25 ASP ILE ALA TYR TYR THR SER GLU PRO 0.513333 0.925373
26 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.512346 0.895522
27 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.512048 0.895522
28 ASP GLU LEU GLU ILE LYS ALA TYR 0.503356 0.753846
29 LEU PRO PHE GLU ARG ALA THR VAL MET 0.502924 0.727273
30 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.5 0.7625
31 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.49697 0.895522
32 ASP PHE GLU ASP TYR GLU PHE ASP 0.496296 0.692308
33 THR ASN GLU PHE TYR PHE 0.496183 0.646154
34 ASP PHE GLU GLU ILE 0.496124 0.634921
35 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.494444 0.867647
36 ASP ILE ASN TYR TYR THR SER GLU PRO 0.493671 0.911765
37 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.493333 0.808824
38 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.49162 0.824324
39 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.490566 0.863636
40 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.490196 0.69697
41 ACE TYR PRO ILE GLN GLU THR 0.490196 0.892308
42 ASP ALA ASP GLU TYR LEU 0.489051 0.6875
43 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.482955 0.863014
44 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.47929 0.767123
45 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.477707 0.835616
46 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.477528 0.824324
47 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.477012 0.794872
48 LEU PHE GLY TYR PRO VAL TYR VAL 0.474684 0.907692
49 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.472727 0.909091
50 THR PRO TYR ASP ILE ASN GLN MET LEU 0.470238 0.84507
51 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.469799 0.920635
52 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.469799 0.833333
53 ALA PHE ARG ILE PRO LEU THR ARG 0.469512 0.780822
54 SER PRO ILE VAL PRO SER PHE ASP MET 0.469512 0.805556
55 PRO GLN PTR GLU GLU ILE PRO ILE 0.469136 0.830986
56 LYS THR PHE PRO PRO THR GLU PRO LYS 0.469136 0.863636
57 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.466667 0.90625
58 PRO GLN PTR GLU PTR ILE PRO ALA 0.466258 0.859155
59 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.465909 0.835616
60 ILE MET ASP GLN VAL PRO PHE SER VAL 0.464286 0.777778
61 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.463855 0.911765
62 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.462963 0.892308
63 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.462428 0.808219
64 TYR TYR SER ILE ILE PRO HIS SER ILE 0.460123 0.885714
65 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.460123 0.885714
66 TYR PRO PHE PHE NH2 0.459854 0.857143
67 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.459119 0.895522
68 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.458824 0.926471
69 LEU PRO PHE GLU LYS SER THR VAL MET 0.458824 0.791667
70 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.458824 0.857143
71 GLU ASN GLN LYS GLU TYR PHE PHE 0.458333 0.712121
72 GLU PRO VAL GLU THR THR ASP TYR 0.458065 0.863636
73 ILE THR ASP GLN VAL PRO PHE SER VAL 0.457831 0.838235
74 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.457317 0.907692
75 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.457317 0.907692
76 GLU ALA ASP PRO THR GLY HIS SER TYR 0.457143 0.857143
77 ACE GLN PM3 GLU GLU ILE PRO 0.456954 0.797101
78 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.456647 0.84507
79 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.456647 0.84507
80 ARG THR PHE SER PRO THR TYR GLY LEU 0.45614 0.824324
81 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.455556 0.828571
82 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.454023 0.810811
83 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.453488 0.911765
84 LEU PRO PHE ASP LYS THR THR ILE MET 0.452941 0.816901
85 PHE ASN PHE PRO GLN ILE THR 0.452229 0.893939
86 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.451807 0.785714
87 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.451219 0.816901
88 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.450382 0.809524
89 VAL PRO LEU ARG PRO MET THR TYR 0.449704 0.766234
90 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.449102 0.756757
91 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.449102 0.792208
92 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.448864 0.867647
93 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.448718 0.826087
94 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.448718 0.716418
95 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.446927 0.847222
96 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.445783 0.763889
97 SER SER TYR ARG ARG PRO VAL GLY ILE 0.443787 0.810811
98 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.443662 0.6875
99 LEU PRO PHE ASP LYS SER THR ILE MET 0.443182 0.805556
100 GLY SER ASP PRO PHE LYS 0.442953 0.791045
101 GLY PHE GLU PRO 0.441176 0.765625
102 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.440678 0.837838
103 LEU PRO PHE ASP ARG THR THR ILE MET 0.44 0.753247
104 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.439759 0.895522
105 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.439759 0.895522
106 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.438272 0.855072
107 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.435583 0.855072
108 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.435028 0.940298
109 ASN ASP TRP LEU LEU PRO SER TYR 0.435028 0.873239
110 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.434783 0.681159
111 GLN ASN TYR PRO ILE VAL GLN 0.433962 0.893939
112 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.433735 0.909091
113 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.432258 0.818182
114 SER ASP ILE LEU PHE PRO ALA ASP SER 0.43125 0.823529
115 THR ASN GLU PHE TYR ALA 0.430556 0.681818
116 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.429487 0.953125
117 PHE PRO THR LYS ASP VAL ALA LEU 0.428571 0.850746
118 LEU ASN PHE PRO ILE SER PRO 0.428571 0.84058
119 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.428571 0.884058
120 DHI PRO PHE HIS LEU LEU VAL TYR 0.428571 0.880597
121 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.425532 0.779221
122 GLU PHE SER PRO 0.42446 0.772727
123 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.423313 0.830769
124 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.423077 0.847222
125 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.422619 0.938462
126 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.422619 0.788732
127 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.42236 0.867647
128 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.421965 0.810811
129 TYR PRO LYS ARG ILE ALA 0.420732 0.828571
130 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.420118 0.774648
131 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.41954 0.794118
132 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.419162 0.77027
133 SER ASP TYR GLN ARG LEU 0.418919 0.647887
134 ALA THR ALA ALA ALA THR GLU ALA TYR 0.41844 0.661538
135 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.417722 0.820895
136 THR PRO PRO SER PRO PHE 0.416667 0.833333
137 PHE ASN ARG PRO VAL 0.416667 0.712329
138 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.416244 0.837838
139 ASP ALA GLU PHE ARG HIS ASP SER 0.416149 0.638889
140 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.41573 0.821918
141 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.415663 0.880597
142 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.415584 0.705882
143 TYR TYR SER ILE ALA PRO HIS SER ILE 0.415205 0.859155
144 HIS SER ILE THR TYR LEU LEU PRO VAL 0.414773 0.859155
145 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.414201 0.880597
146 ARG PRO MET THR TYR LYS GLY ALA LEU 0.413978 0.75641
147 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.412791 0.833333
148 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.412371 0.797297
149 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.411429 0.653333
150 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.411111 0.782609
151 ARG PRO MET THR PHE LYS GLY ALA LEU 0.408602 0.717949
152 ARG TYR PRO LEU THR PHE GLY TRP 0.408377 0.813333
153 ASP PHE ALA ASN THR PHE LEU PRO 0.407407 0.880597
154 VAL MET ALA PRO ARG THR LEU PHE LEU 0.40678 0.705128
155 PHE TYR ARG ALA LEU MET 0.40625 0.613333
156 THR ASN GLU TYR TYR VAL 0.405797 0.666667
157 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.405714 0.84507
158 ACE ILE GLU PRO ASJ 0.405594 0.8
159 VAL TYR PRO IAS HIS ALA 0.404908 0.867647
160 VAL ASN ASP ILE PHE GLU ALA ILE 0.403846 0.621212
161 THR TYR LYS PHE PHE GLU GLN 0.402685 0.727273
162 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.402685 0.727273
163 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.402439 0.720588
164 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.402235 0.871429
165 LEU ALA ILE TYR SER 0.401408 0.626866
166 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.401274 0.876923
167 PRO ALA PRO PHE ALA SER ALA 0.401274 0.779412
168 ASP ILE ASN TYS TYS THR SER GLU PRO 0.401198 0.746988
169 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.401099 0.733333
170 ALA CYS SEP PRO GLN PHE GLY 0.4 0.68
171 ACE PRO ALA PRO TYR 0.4 0.846154
172 PRO SER TYR SEP PRO THR SEP PRO SER 0.4 0.77027
Ligand no: 2; Ligand: ZAL PRO MMO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ZAL PRO MMO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EB1; Ligand: ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE; 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: 1eb1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1EB1; Ligand: ZAL PRO MMO; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 1eb1.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1GJC 130 46.2451
2 1OSS BEN 47.0852
3 1RTF BEN 48.0159
4 6B74 BEN 48.1481
5 2AIQ BEN 48.9177
6 1FIW PBZ 49.4163
7 1PQ7 ARG 49.5536
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