Receptor
PDB id Resolution Class Description Source Keywords
3U8O 1.28 Å EC: 3.4.21.5 HUMAN THROMBIN COMPLEXED WITH D-PHE-PRO-D-ARG-D-THR HOMO SAPIENS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: RATIONAL DESIGN AND CHARACTERIZATION OF D-PHE-PRO-D-ARG-DERIVED DIRECT THROMBIN INHIBITORS. PLOS ONE V. 7 34354 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL H:604;
Invalid;
none;
submit data
35.453 Cl [Cl-]
DPN PRO DAR DTH NH2 I:1;
Valid;
none;
Ki = 0.92 uM
521.643 n/a O=C([...
IOD H:603;
Invalid;
none;
submit data
126.904 I [I-]
MRD H:605;
H:606;
Invalid;
Invalid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@H...
NA H:602;
Part of Protein;
none;
submit data
22.99 Na [Na+]
NAG H:601;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
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 26 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 18 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: DPN PRO DAR DTH NH2; Similar ligands found: 164
No: Ligand ECFP6 Tc MDL keys Tc
1 DPN PRO DAR DTH NH2 1 1
2 DPN PRO DAR ILE NH2 0.854167 0.857143
3 DPN PRO DAR CYS NH2 0.767677 0.885246
4 DPN PRO ARG 0.729167 0.868852
5 PHE PRO ARG 0.643564 0.866667
6 ALA PHE ARG ILE PRO LEU THR ARG 0.592308 0.895522
7 TYR PRO LYS ARG ILE ALA 0.579365 0.838235
8 PHE ASN ARG PRO VAL 0.571429 0.876923
9 LEU PRO PHE ASP ARG THR THR ILE MET 0.568345 0.833333
10 TYR PRO PHE PHE NH2 0.551402 0.753846
11 ALA THR PRO PHE GLN GLU 0.548077 0.852459
12 VAL MET ALA PRO ARG THR LEU PHE LEU 0.535714 0.857143
13 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.531915 0.909091
14 CYS THR PRO SER ARG 0.525862 0.90625
15 LEU PRO PHE GLU ARG ALA THR VAL MET 0.517007 0.857143
16 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.514085 0.882353
17 LEU PRO PHE GLU ARG ALA THR ILE MET 0.510067 0.84507
18 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.507246 0.867647
19 0G6 0.504505 0.888889
20 PHE ASN PHE PRO GLN ILE THR 0.503876 0.768116
21 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.50365 0.808824
22 ARG PRO LYS ARG ILE ALA 0.496 0.80303
23 GLU ARG THR ILE PRO ILE THR ARG GLU 0.496 0.892308
24 SER PRO LYS ARG ILE ALA 0.495868 0.861538
25 ARG THR PHE SER PRO THR TYR GLY LEU 0.493056 0.833333
26 PHE PRO THR LYS ASP VAL ALA LEU 0.492754 0.80597
27 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.492754 0.797101
28 ALA PRO ASP THR ARG PRO 0.491803 0.865672
29 ARG PRO MET THR PHE LYS GLY ALA LEU 0.490196 0.84507
30 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.490066 0.857143
31 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.488722 0.84507
32 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.485714 0.734375
33 ACE ARG THR PRO SEP LEU PRO THR PIP 0.485075 0.763158
34 5JP PRO LYS ARG ILE ALA 0.482759 0.848485
35 GLY PHE ARG PRO 0.482456 0.870968
36 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.482014 0.780822
37 THR LYS PRO ARG 0.481481 0.822581
38 LYS PRO VAL LEU ARG THR ALA 0.480916 0.892308
39 DTY ILE ARG LEU LPD 0.480315 0.850746
40 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.480263 0.882353
41 THR PRO ARG ARG SER MLZ SER ALA 0.479675 0.84058
42 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.477419 0.833333
43 ALA MET ALA PRO ARG THR LEU LEU LEU 0.477273 0.828571
44 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.47619 0.776119
45 ALA PRO ASP THR ARG PRO ALA PRO 0.47619 0.865672
46 VAL PRO LEU ARG PRO MET THR TYR 0.475524 0.821918
47 ARG SEP PRO VAL PHE SER 0.47482 0.828571
48 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.473684 0.84507
49 1IP CYS PHE SER LYS PRO ARG 0.471831 0.867647
50 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.471831 0.865672
51 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.469799 0.869565
52 TRP ASP ILE PRO PHE 0.469565 0.753846
53 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.469565 0.753846
54 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.467626 0.826087
55 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.467066 0.821918
56 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.464516 0.821918
57 LEU PRO SER PHE GLU THR ALA LEU 0.463235 0.80597
58 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.4625 0.753425
59 SER ALA PRO ASP THR ARG PRO ALA 0.462121 0.852941
60 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.462069 0.84507
61 HIS PRO PHE 0.460177 0.712121
62 ARG ARG ARG GLU ARG SER PRO THR ARG 0.458647 0.892308
63 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.45625 0.76
64 ARG PRO PRO GLY PHE 0.456 0.828125
65 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.453333 0.828571
66 ARG PHE PRO LEU THR PHE GLY TRP 0.452229 0.84507
67 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.451613 0.867647
68 MET CYS PRO ARG MET THR ALA VAL MET 0.450704 0.828571
69 ILE SER PRO ARG THR LEU ASP ALA TRP 0.450617 0.821918
70 LEU PRO PHE ASP LYS THR THR ILE MET 0.44898 0.75
71 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.448052 0.75641
72 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.448 0.8
73 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.447761 0.865672
74 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.446809 0.805556
75 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.445255 0.782609
76 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.445255 0.774648
77 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.444444 0.821918
78 ILE THR ASP GLN VAL PRO PHE SER VAL 0.444444 0.794118
79 LEU PRO GLU THR GLY 0.443478 0.8
80 ACE GLN GLU ARG GLU VAL PRO CYS 0.44186 0.791045
81 ARG TYR PRO LEU THR PHE GLY TRP 0.441718 0.821918
82 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.441558 0.895522
83 THR PRO PRO SER PRO PHE 0.440678 0.815385
84 LYS PRO PHE PTR VAL ASN VAL NH2 0.440559 0.688312
85 ARG THR PRO SEP LEU PRO THR 0.440298 0.780822
86 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.437956 0.865672
87 SER ARG ASP HIS SER ARG THR PRO MET 0.437909 0.797297
88 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.436709 0.774648
89 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.436242 0.771429
90 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.435065 0.821918
91 ALA ARG MLZ SER ALA PRO ALA THR 0.433824 0.828571
92 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.433824 0.746479
93 SER HIS PRO ARG PRO ILE ARG VAL 0.433566 0.816901
94 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.433121 0.857143
95 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.432624 0.736111
96 LEU SER SER PRO VAL THR LYS SER PHE 0.432624 0.818182
97 ARG PRO MET THR TYR LYS GLY ALA LEU 0.43125 0.810811
98 32U 0.431193 0.777778
99 LEU ASP PRO ARG 0.429752 0.830769
100 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.429577 0.73913
101 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.42953 0.760563
102 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.429487 0.842857
103 01B PRO PRO ALA NH2 0.428571 0.784615
104 SER SER TYR ARG ARG PRO VAL GLY ILE 0.428571 0.84507
105 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.428571 0.787879
106 ARG PRO LYS PRO LEU VAL ASP PRO 0.428571 0.787879
107 HIS HIS ALA SER PRO ARG LYS 0.427586 0.863636
108 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.426829 0.810811
109 GLY SER ASP PRO PHE LYS 0.425197 0.8
110 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.424837 0.802817
111 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.423611 0.878788
112 SER ASP ILE LEU PHE PRO ALA ASP SER 0.423358 0.779412
113 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.422535 0.84058
114 SER PRO ARG LEU PRO LEU LEU GLU SER 0.421875 0.8
115 ARG ARG LEU ILE PHE NH2 0.421488 0.646154
116 GLU PRO GLY GLY SER ARG 0.420635 0.875
117 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.420168 0.797101
118 LEU ASN PHE PRO ILE SER PRO 0.419847 0.746479
119 LEU PRO PHE ASP LYS SER THR ILE MET 0.419355 0.739726
120 MAA LYS PRO PHE 0.418033 0.761905
121 SER PRO ILE VAL PRO SER PHE ASP MET 0.417808 0.716216
122 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.417647 0.821918
123 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.417219 0.706667
124 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.417219 0.814286
125 LYS THR PHE PRO PRO THR GLU PRO LYS 0.416667 0.818182
126 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.415493 0.736111
127 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.414815 0.865672
128 ALA DAL PRO PHE NIT 0.414634 0.631579
129 ACE ARG THR PRO SEP LEU PRO GLY D4H 0.414634 0.766234
130 GLN ALA SER TPO PRO ARG NIT 0.414474 0.75
131 ILE MET ASP GLN VAL PRO PHE SER VAL 0.413333 0.736111
132 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.412698 0.80303
133 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.412162 0.757576
134 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.412162 0.842857
135 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.412121 0.791667
136 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.411765 0.757143
137 3BY PRO LYS ARG ILE ALA 0.411765 0.746479
138 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.411429 0.8
139 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.411348 0.732394
140 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.410256 0.739726
141 ACE ARG THR PRO SEP LEU PRO GLY D3W 0.409639 0.728395
142 GLY ARG PHE GLN VAL THR 0.409449 0.746032
143 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.409091 0.791045
144 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.409091 0.810811
145 LEU PRO PHE GLU LYS SER THR VAL MET 0.407895 0.75
146 SER THR SEP PRO THR PHE ASN LYS 0.407895 0.763889
147 ALA THR ARG ASN PHE SER GLY 0.407692 0.753846
148 GLY MET PRO ARG GLY ALA 0.407692 0.757143
149 ASN ARG PRO ILE LEU SER LEU 0.407407 0.826087
150 ARG THR PRO SEP LEU PRO GLY D4K 0.404908 0.746835
151 ASP LEU THR ARG PRO 0.404762 0.878788
152 ACE PRO ALA PRO PHE 0.403509 0.686567
153 GLU THR VAL ARG PHE GLN SER ASP 0.402878 0.738462
154 LYS ARG ARG ARG HIS PRO SER 0.402878 0.833333
155 ARG GLY PRO GLY CYS ALA PHE VAL THR ILE 0.402516 0.882353
156 GLU PHE SER PRO 0.401709 0.809524
157 ACE ARG ARG B3L MEA NH2 0.401639 0.681159
158 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.401575 0.787879
159 PHE ARG TYR LEU GLY 0.401575 0.657143
160 PRO PRO LYS ARG ILE ALA 0.40146 0.80303
161 LYS ARG ARG ARG HIS PRO SER GLY 0.401408 0.850746
162 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.401316 0.816901
163 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.4 0.71831
164 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.4 0.842857
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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