Receptor
PDB id Resolution Class Description Source Keywords
1SB1 1.9 Å EC: 3.4.21.5 NOVEL NON-COVALENT THROMBIN INHIBITORS INCORPORATING P1 4,5, TETRAHYDROBENZOTHIAZOLE ARGININE SIDE CHAIN MIMETICS HOMO SAPIENS THROMBIN INHIBITION HIRUGEN SERINE PROTEASE INHIBITOR BLCLOTTING HYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: NOVEL NON-COVALENT THROMBIN INHIBITORS INCORPORATIN 4,5,6,7-TETRAHYDROBENZOTHIAZOLE ARGININE SIDE CHAIN EUR.J.MED.CHEM. V. 39 257 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
165 H:1001;
Valid;
none;
Ki = 128 nM
569.739 C28 H35 N5 O4 S2 c1ccc...
ASP PHE GLU GLU ILE PRO GLU GLU TYS I:55;
Valid;
none;
submit data
1229.22 n/a [S+2]...
NA H:501;
H:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
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 (52)
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 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
20 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
21 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
22 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
23 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
24 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
25 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
26 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
27 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
29 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
31 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
32 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
33 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
34 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
35 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
36 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
37 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
38 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
39 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
40 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
41 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
43 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1XMN - SGN IDS SGN IDS SGN n/a n/a
45 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
46 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
47 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
49 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
50 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
51 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
52 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 15 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: 165; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 165 1 1
2 RA8 0.408 0.771084
3 S49 0.408 0.822785
Ligand no: 2; Ligand: ASP PHE GLU GLU ILE PRO GLU GLU TYS; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PHE GLU GLU ILE PRO GLU GLU TYS 1 1
2 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.785714 0.973684
3 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.746479 0.881579
4 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.737589 0.973684
5 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.666667 0.779221
6 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.639456 0.813333
7 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.596774 0.702703
8 TRP ASP ILE PRO PHE 0.596774 0.702703
9 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.564626 0.786667
10 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.562914 0.763158
11 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.557823 0.653846
12 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.554878 0.814815
13 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.551282 0.734177
14 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.546667 0.705882
15 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.52518 0.72
16 ACE GLN PM3 GLU GLU ILE PRO 0.51773 0.776316
17 TRP GLU TYR ILE PRO ASN VAL 0.515528 0.740741
18 PRO GLN PTR GLU GLU ILE PRO ILE 0.512821 0.842105
19 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.512821 0.72
20 PRO GLN PTR GLU PTR ILE PRO ALA 0.509554 0.868421
21 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.503268 0.717949
22 PHE SER ALA PTR PRO SER GLU GLU ASP 0.49375 0.7875
23 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.490909 0.822785
24 PHE ASN PHE PRO GLN ILE THR 0.489933 0.721519
25 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.483221 0.670732
26 VAL TYR ILE HIS PRO PHE 0.477987 0.721519
27 DPN PRO DAR ILE NH2 0.47482 0.617284
28 ASP ARG VAL TYR ILE HIS PRO PHE 0.474286 0.717647
29 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.473988 0.697674
30 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.473054 0.772152
31 ILE THR ASP GLN VAL PRO PHE SER VAL 0.47205 0.679012
32 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.471591 0.721519
33 ILE MET ASP GLN VAL PRO PHE SER VAL 0.469512 0.654762
34 LEU PRO PHE GLU ARG ALA THR ILE MET 0.468208 0.647727
35 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.466667 0.766234
36 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.464706 0.792208
37 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.461078 0.753086
38 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.458824 0.725
39 SER ASP ILE LEU PHE PRO ALA ASP SER 0.454545 0.675
40 TYR TYR SER ILE ILE PRO HIS SER ILE 0.453416 0.731707
41 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.453416 0.731707
42 LEU PRO PHE ASP LYS THR THR ILE MET 0.451807 0.703704
43 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.448485 0.725
44 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.447059 0.753086
45 LEU PRO PHE ASP ARG THR THR ILE MET 0.447059 0.659091
46 ALA PRO ALA TRP LEU PHE GLU ALA 0.445783 0.705128
47 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.443182 0.714286
48 LYS PRO PHE PTR VAL ASN VAL NH2 0.441718 0.810127
49 SER SER PHE TYR PRO SEP ALA GLU GLY 0.440252 0.807692
50 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.43787 0.75
51 LEU ASN PHE PRO ILE SER PRO 0.437086 0.682927
52 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.436364 0.766234
53 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.435065 0.7125
54 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.435028 0.630952
55 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.434783 0.686747
56 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.434783 0.7625
57 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.434524 0.625
58 LEU PRO PHE GLU ARG ALA THR VAL MET 0.434286 0.636364
59 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.433962 0.695122
60 DPN PRO DAR DTH NH2 0.433566 0.60241
61 LEU PRO PHE ASP LYS SER THR ILE MET 0.433526 0.686747
62 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.432432 0.674419
63 LEU PRO PHE GLU LYS SER THR VAL MET 0.431953 0.674699
64 GLY SER ASP PRO PHE LYS 0.431507 0.64557
65 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.431034 0.709302
66 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.430303 0.639535
67 TYR PRO PHE PHE NH2 0.427536 0.693333
68 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.426901 0.654762
69 GLU PHE SER PRO 0.425373 0.628205
70 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.423529 0.647059
71 GLU PRO GLN ALA PRO TRP MET GLU 0.422619 0.691358
72 TYR PRO LYS ARG ILE ALA 0.421384 0.695122
73 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.420732 0.792208
74 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.420455 0.613636
75 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.420118 0.73494
76 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.419847 0.662162
77 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.419753 0.695122
78 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.41875 0.670732
79 ACE TYR PRO ILE GLN GLU THR 0.417722 0.717949
80 SER THR SEP PRO THR PHE ASN LYS 0.417647 0.719512
81 PHE SER HIS PRO GLN ASN THR 0.417178 0.662651
82 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.416667 0.738095
83 THR PRO TYR ASP ILE ASN GLN MET LEU 0.416185 0.710843
84 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.414201 0.716049
85 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.413174 0.766234
86 ARG SEP PRO VAL PHE SER 0.412121 0.651163
87 GLU VAL PTR GLU SER PRO 0.411765 0.775
88 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.411043 0.75641
89 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.411043 0.679012
90 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.408284 0.691358
91 TYR TYR SER ILE ALA PRO HIS SER ILE 0.408284 0.710843
92 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.408046 0.682353
93 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.407609 0.717647
94 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.40678 0.696629
95 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.406061 0.727273
96 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.405229 0.736842
97 LEU PHE GLY TYR PRO VAL TYR VAL 0.404908 0.74026
98 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.404494 0.772152
99 GLY PHE GLU PRO 0.404412 0.648649
100 ARG VAL SER PRO SER THR SER TYR THR PRO 0.403974 0.675
101 PHE ASN ARG PRO VAL 0.403974 0.619048
102 GLU ARG THR ILE PRO ILE THR ARG GLU 0.403846 0.654762
103 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.402516 0.654762
104 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.402439 0.721519
105 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.402367 0.740741
106 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.402235 0.632184
107 MAA LYS PRO PHE 0.401408 0.626667
108 PHE GLU ASP ASN PHE VAL PRO 0.401316 0.696203
109 LYS THR PHE PRO PRO THR GLU PRO LYS 0.401198 0.714286
110 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.401163 0.753247
111 LEU PRO GLU THR GLY 0.4 0.64557
112 ARG PRO MET THR PHE LYS GLY ALA LEU 0.4 0.629214
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: 50
This union binding pocket(no: 1) in the query (biounit: 1eb1.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4FFG LBS 0.0005945 0.47278 1.94553
2 2JEN GLC GLC BGC XYS BGC XYS 0.003895 0.43086 2.33463
3 5DY5 5GR 0.04819 0.41166 2.63158
4 3QCQ 3Q0 0.002049 0.49631 2.72374
5 5HCY 60D 0.02052 0.41891 2.72374
6 5HCF BGC 0.01019 0.41578 2.72374
7 2YNE NHW 0.005152 0.47445 3.11284
8 2YNE YNE 0.005152 0.47445 3.11284
9 5BYZ 4WE 0.005564 0.43562 3.11284
10 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.01927 0.40084 3.11284
11 3KRR DQX 0.02813 0.42427 3.50195
12 4X5S AZM 0.01286 0.40875 3.87931
13 4I4S LAT 0.005422 0.43199 4.10959
14 3G5N PB2 0.03413 0.42744 4.28016
15 4NM5 ADP 0.0112 0.41064 4.28016
16 4COQ SAN 0.01383 0.40626 4.45344
17 5IH9 6BF 0.0004373 0.49578 4.66926
18 4OTH DRN 0.003698 0.43193 4.66926
19 4CQE CQE 0.02713 0.408 5.05837
20 4NS0 PIO 0.0002441 0.50393 5.26316
21 3PE2 E1B 0.01202 0.43264 5.44747
22 4IJP 1EH 0.01589 0.40002 5.44747
23 3WG3 A2G GAL NAG FUC 0.004075 0.40763 5.61798
24 4XV1 904 0.02176 0.40861 6.22568
25 3SAO NKN 0.002757 0.42761 6.25
26 4WW7 AMP 0.01008 0.41116 6.41711
27 4XIZ LPP 0.009878 0.42575 6.47059
28 5W4W 9WG 0.02545 0.40169 6.61479
29 3I7V ATP 0.0131 0.40052 6.71642
30 1T26 NAI 0.02087 0.4194 7.00389
31 5ISY NAD 0.002949 0.42384 7.7821
32 4CLI 5P8 0.01592 0.42457 8.17121
33 2X4Z X4Z 0.008455 0.4303 8.94942
34 5FU3 BGC BGC BGC 0.008931 0.41626 9.43396
35 3ITA AIC 0.0118 0.4146 10.1167
36 4WNK 453 0.02378 0.40315 10.5058
37 2WSA MYA 0.04441 0.42255 11.1111
38 2WSA 646 0.04441 0.42255 11.1111
39 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.00002279 0.40262 15.7895
40 4UWJ MYA 0.0241 0.4291 18.5185
41 4UWJ 7L5 0.0241 0.4291 18.5185
42 5F3I 5UJ 0.03939 0.41188 18.5185
43 5UIU 8CG 0.02103 0.4058 18.5185
44 3MVH WFE 0.02538 0.40174 22.2222
45 2XN5 FUN 0.004302 0.42085 25.7143
46 2XG5 EC5 0.006852 0.43072 37.037
47 2XG5 EC2 0.006852 0.43072 37.037
48 1VJY 460 0.02587 0.40371 37.037
49 1OUK 084 0.03565 0.43393 48.1481
50 1OBD ATP 0.007021 0.40655 48.1481
Pocket No.: 2; Query (leader) PDB : 1EB1; Ligand: ZAL PRO MMO; Similar sites found: 43
This union binding pocket(no: 2) in the query (biounit: 1eb1.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P8N L4T 0.0002989 0.41562 2.15054
2 3R4Z GLA 0.04728 0.40281 2.33463
3 4GR5 APC 0.02379 0.40091 2.33463
4 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.00004047 0.46016 2.48963
5 2CXG GLC GLC 0.02636 0.41275 2.72374
6 2XCF BBQ 0.0002651 0.48482 3.0303
7 3AB4 LYS 0.03234 0.40491 3.11284
8 4Q3F TLA 0.0308 0.40877 3.4188
9 3ESS 18N 0.03387 0.40849 4.34783
10 2AWN ADP 0.04022 0.4039 4.66926
11 3NOJ PYR 0.01866 0.42801 5.46218
12 2YY8 MTA 0.007923 0.42804 5.47264
13 2YY8 SAM 0.003971 0.4234 5.47264
14 3P7G MAN 0.03765 0.407 5.47945
15 2FKA BEF 0.01658 0.4159 6.20155
16 3G6N MET ALA SER 0.03009 0.41058 6.28272
17 1J71 THR ILE THR SER 0.0389 0.40668 7.00389
18 2CJU PHX 0.008433 0.43599 7.07965
19 1MFA GLA MMA ABE 0.03421 0.41214 7.08661
20 3KEE 30B 0.0001518 0.41093 7.7821
21 1HPG BOC ALA ALA PRO GLU 0.00002285 0.5532 8.02139
22 1GPM CIT 0.0482 0.40125 8.17121
23 4SGA ACE PRO ALA PRO PHE 0.000003716 0.43632 8.83978
24 2Z48 NGA 0.0206 0.40862 8.94942
25 4NWK 2R8 0.0003823 0.46015 9.13242
26 2OUA AES 0.0000007612 0.66105 9.57447
27 3SUD SUE 0.0003548 0.40514 9.85222
28 3WOL VAL TYR 0.0003625 0.44641 10.1167
29 1GXU 2HP 0.01643 0.41332 14.2857
30 5JWI ARG GLU 0.001911 0.44526 25.9259
31 3BBH SFG 0.006689 0.42013 25.9259
32 5E58 CPZ 0.02533 0.41 33.3333
33 5A8Y VBM 0.0000005937 0.47941 45.8716
34 1GJC 130 0.00000000004006 0.70596 46.2451
35 1OSS BEN 0.00000000001668 0.5187 47.0852
36 1SQA UI1 0.0000000001493 0.6847 47.3469
37 1RTF BEN 0.0000000001026 0.48976 48.0159
38 3N7O N7O 0.000000006423 0.64135 48.6726
39 2AIQ BEN 0.00000007108 0.44134 48.9177
40 1IAU ACE ILE GLU PRO ASJ 0.0000001015 0.65078 49.3392
41 1FIW PBZ 0.000000001727 0.50218 49.4163
42 1PQ7 ARG 0.00000000003058 0.58302 49.5536
43 4NFE BEN 0.0000001494 0.42832 49.789
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