Receptor
PDB id Resolution Class Description Source Keywords
3U8R 1.47 Å EC: 3.4.21.5 HUMAN THROMBIN COMPLEXED WITH D-PHE-PRO-D-ARG-ILE 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 ILE NH2 I:1;
Valid;
none;
Ki = 7.7 uM
533.698 n/a O=C([...
IOD H:603;
Invalid;
none;
submit data
126.904 I [I-]
MPD H:605;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
MRD H:606;
Invalid;
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 ILE NH2; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 DPN PRO DAR ILE NH2 1 1
2 DPN PRO DAR DTH NH2 0.854167 0.857143
3 DPN PRO DAR CYS NH2 0.767677 0.898305
4 DPN PRO ARG 0.71134 0.881356
5 PHE PRO ARG 0.643564 0.912281
6 TYR PRO LYS ARG ILE ALA 0.604839 0.876923
7 PHE ASN ARG PRO VAL 0.571429 0.859375
8 ALA PHE ARG ILE PRO LEU THR ARG 0.568182 0.850746
9 LEU PRO PHE ASP ARG THR THR ILE MET 0.546099 0.791667
10 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.537313 0.904762
11 TYR PRO PHE PHE NH2 0.537037 0.707692
12 ARG PRO LYS ARG ILE ALA 0.532787 0.901639
13 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.529412 0.850746
14 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.514563 0.830508
15 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.51145 0.802817
16 TRP ASP ILE PRO PHE 0.508929 0.819672
17 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.508929 0.819672
18 DTY ILE ARG LEU LPD 0.504 0.890625
19 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.50365 0.890625
20 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.503497 0.838235
21 LEU PRO PHE GLU ARG ALA THR ILE MET 0.5 0.802817
22 VAL MET ALA PRO ARG THR LEU PHE LEU 0.493056 0.788732
23 PHE ASN PHE PRO GLN ILE THR 0.492308 0.724638
24 ALA THR PRO PHE GLN GLU 0.490741 0.774194
25 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.489655 0.808824
26 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.489051 0.863636
27 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.488 0.870968
28 GLU ARG THR ILE PRO ILE THR ARG GLU 0.484127 0.846154
29 SER PRO LYS ARG ILE ALA 0.483607 0.84375
30 GLY PHE ARG PRO 0.482456 0.883333
31 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.482014 0.788732
32 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.480263 0.814286
33 0G6 0.477876 0.84127
34 LEU PRO PHE GLU ARG ALA THR VAL MET 0.476821 0.788732
35 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.474684 0.791667
36 5JP PRO LYS ARG ILE ALA 0.470085 0.80303
37 THR LYS PRO ARG 0.46789 0.833333
38 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.466667 0.846154
39 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.465753 0.890625
40 ARG SEP PRO VAL PHE SER 0.464286 0.785714
41 CYS THR PRO SER ARG 0.46281 0.776119
42 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.4625 0.811594
43 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.461538 0.794118
44 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.460432 0.772727
45 HIS PRO PHE 0.460177 0.71875
46 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.458904 0.848485
47 ARG ARG LEU ILE PHE NH2 0.457627 0.762712
48 ALA PRO ASP THR ARG PRO 0.456 0.768116
49 ARG PRO PRO GLY PHE 0.456 0.868852
50 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.455128 0.780822
51 SER HIS PRO ARG PRO ILE ARG VAL 0.453901 0.8
52 ARG THR PHE SER PRO THR TYR GLY LEU 0.452703 0.767123
53 ARG PRO MET THR PHE LYS GLY ALA LEU 0.452229 0.777778
54 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.452055 0.802817
55 1IP CYS PHE SER LYS PRO ARG 0.451389 0.771429
56 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.448 0.868852
57 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.445255 0.782609
58 THR PRO ARG ARG SER MLZ SER ALA 0.444444 0.771429
59 3BY PRO LYS ARG ILE ALA 0.443609 0.833333
60 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.442308 0.823529
61 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.442308 0.811594
62 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.442029 0.846154
63 ACE ARG THR PRO SEP LEU PRO THR PIP 0.442029 0.723684
64 ACE GLN GLU ARG GLU VAL PRO CYS 0.44186 0.828125
65 ALA PRO ASP THR ARG PRO ALA PRO 0.44186 0.768116
66 LEU ASN PHE PRO ILE SER PRO 0.44186 0.728571
67 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.441176 0.780822
68 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.440559 0.614458
69 PHE PRO THR LYS ASP VAL ALA LEU 0.440559 0.735294
70 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.440252 0.743243
71 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.43871 0.717949
72 SER SER TYR ARG ARG PRO VAL GLY ILE 0.438356 0.802817
73 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.437037 0.820895
74 LYS PRO VAL LEU ARG THR ALA 0.437037 0.818182
75 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.436709 0.835821
76 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.436242 0.689189
77 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.435897 0.753425
78 VAL PRO LEU ARG PRO MET THR TYR 0.435374 0.756757
79 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.434211 0.838235
80 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.434211 0.838235
81 ALA MET ALA PRO ARG THR LEU LEU LEU 0.433824 0.760563
82 PRO PRO LYS ARG ILE ALA 0.432836 0.901639
83 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.432624 0.794118
84 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.431507 0.822581
85 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.431507 0.826087
86 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.431373 0.774648
87 32U 0.431193 0.816667
88 LYS PRO PHE PTR VAL ASN VAL NH2 0.430556 0.649351
89 LEU ASP PRO ARG 0.429752 0.870968
90 LEU PRO PHE ASP LYS THR THR ILE MET 0.42953 0.708333
91 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.429487 0.8
92 ASN ARG PRO ILE LEU SER LEU 0.428571 0.808824
93 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.428571 0.885246
94 ARG PRO LYS PRO LEU VAL ASP PRO 0.428571 0.885246
95 SER PRO ILE VAL PRO SER PHE ASP MET 0.427586 0.69863
96 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.427536 0.820895
97 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.426667 0.850746
98 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.425806 0.780822
99 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.425676 0.875
100 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.424051 0.814286
101 SER ASP ILE LEU PHE PRO ALA ASP SER 0.423358 0.761194
102 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.423077 0.850746
103 SER PRO ARG LEU PRO LEU LEU GLU SER 0.421875 0.9
104 LEU PRO SER PHE GLU THR ALA LEU 0.421429 0.735294
105 ARG ILE PHE SER 0.420168 0.737705
106 SER ALA PRO ASP THR ARG PRO ALA 0.419118 0.757143
107 MAA LYS PRO PHE 0.418033 0.830508
108 HIS HIS ALA SER PRO ARG LYS 0.417808 0.791045
109 ARG PHE PRO LEU THR PHE GLY TRP 0.416149 0.777778
110 ARG ARG ARG GLU ARG SER PRO THR ARG 0.416058 0.764706
111 ILE SER PRO ARG THR LEU ASP ALA TRP 0.415663 0.780822
112 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.415663 0.77027
113 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.415493 0.794118
114 ILE THR ASP GLN VAL PRO PHE SER VAL 0.414966 0.75
115 LEU PRO PRO GLU GLU ARG LEU ILE 0.414815 0.873016
116 ALA DAL PRO PHE NIT 0.414634 0.680556
117 GLY SER ASP PRO PHE LYS 0.414062 0.701493
118 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.413043 0.704225
119 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.412698 0.681159
120 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.412587 0.797101
121 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.411765 0.818182
122 MET CYS PRO ARG MET THR ALA VAL MET 0.410959 0.760563
123 GLY PRO ARG PRO 0.410714 0.819672
124 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.409449 0.836066
125 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.408333 0.80597
126 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.408163 0.735294
127 GLY MET PRO ARG GLY ALA 0.407692 0.818182
128 ARG TYR PRO LEU THR PHE GLY TRP 0.407186 0.756757
129 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.406897 0.739726
130 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.406452 0.728571
131 GLN ALA SER TPO PRO ARG NIT 0.405229 0.670732
132 THR PRO PRO SER PRO PHE 0.404959 0.716418
133 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.404412 0.820895
134 ILE MET ASP GLN VAL PRO PHE SER VAL 0.403974 0.71831
135 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.403614 0.8
136 ACE PRO ALA PRO PHE 0.403509 0.71875
137 ACE ARG ARG B3L MEA NH2 0.401639 0.738462
138 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.401575 0.796875
139 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.40146 0.793651
140 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.401274 0.69863
141 LEU PRO PHE ASP LYS SER THR ILE MET 0.401274 0.69863
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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