Receptor
PDB id Resolution Class Description Source Keywords
1AFE 2 Å EC: 3.4.21.5 HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP HOMO SAPIENS COMPLEX (SERINE PROTEASE-INHIBITOR) BLOOD COAGULATION N- CARBOBENZOXY-PRO-ALFA-AZALYS-P-NITROPHENYLESTER SERINE PROINHIBITION GLYCOSYLATED PROTEIN HYDROLASE-HYDROLASE INHIBCOMPLEX
Ref.: HUMAN ALPHA-THROMBIN INHIBITION BY THE HIGHLY SELEC COMPOUNDS N-ETHOXYCARBONYL-D-PHE-PRO-ALPHA-AZALYS P-NITROPHENYL ESTER AND N-CARBOBENZOXY-PRO-ALPHA-AZ P-NITROPHENYL ESTER: A KINETIC, THERMODYNAMIC AND X CRYSTALLOGRAPHIC STUDY. J.MOL.BIOL.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALZ H:600;
Valid;
none;
submit data
334.413 C17 H26 N4 O3 c1ccc...
ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU I:55;
Valid;
none;
submit data
1271.32 n/a [S+2]...
NAG H:400;
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
2ANM 2.4 Å EC: 3.4.21.5 TERNARY COMPLEX OF AN ORALLY ACTIVE THROMBIN INHIBITOR WITH HUMAN THROMBIN AND A C-TERMINAL HIRUDIN DERIVED EXO-SIT I NHIBITOR HOMO SAPIENS BLOOD CLOTTING
Ref.: ORALLY ACTIVE THROMBIN INHIBITORS. PART 2: OPTIMIZATION OF THE P2-MOIETY BIOORG.MED.CHEM.LETT. V. 16 2648 2006
Members (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
2 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
3 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
4 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
5 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S CC(C)C(C(C....
6 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
7 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
8 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
9 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
10 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
11 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 CC(C(=O)N1....
12 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
13 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
14 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
15 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)C....
16 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
17 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
18 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
19 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
20 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
21 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
22 1XMN - SGN IDS SGN IDS SGN n/a n/a
23 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 CC(C(=O)N1....
24 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)NC....
25 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]N=C(c1c....
26 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
27 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
29 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
30 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 c1cc(ccc1C....
32 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 CC(C(=O)N1....
70% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
2 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
3 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
4 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
5 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S CC(C)C(C(C....
6 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
7 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
8 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
9 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
10 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
11 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 CC(C(=O)N1....
12 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
13 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
14 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
15 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)C....
16 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
17 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
18 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
19 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
20 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
21 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
22 1XMN - SGN IDS SGN IDS SGN n/a n/a
23 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 CC(C(=O)N1....
24 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)NC....
25 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]N=C(c1c....
26 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
27 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
29 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
30 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 c1cc(ccc1C....
32 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 CC(C(=O)N1....
33 3PMA - SCR C12 H22 O35 S8 C(C1C(C(C(....
34 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CCC1C2C3CC....
35 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
36 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
37 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 CC(C)CC(C(....
38 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CCC1C2C(C(....
39 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
40 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1C....
41 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
42 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
43 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S CC1CCN(C(C....
44 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
45 1H8D - PHW C45 H48 N3 O9 P COC=CCC(NC....
46 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
47 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S CC(C)CC(C(....
49 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
50 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
51 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
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 18 families.
1 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
2 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
3 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
4 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
5 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S CC(C)C(C(C....
6 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
7 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
8 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
9 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
10 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
11 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 CC(C(=O)N1....
12 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
13 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
14 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
15 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)C....
16 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
17 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
18 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
19 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
20 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
21 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
22 1XMN - SGN IDS SGN IDS SGN n/a n/a
23 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 CC(C(=O)N1....
24 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)NC....
25 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]N=C(c1c....
26 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
27 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
29 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
30 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 c1cc(ccc1C....
32 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 CC(C(=O)N1....
33 3PMA - SCR C12 H22 O35 S8 C(C1C(C(C(....
34 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CCC1C2C3CC....
35 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
36 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
37 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 CC(C)CC(C(....
38 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CCC1C2C(C(....
39 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
40 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1C....
41 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
42 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
43 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S CC1CCN(C(C....
44 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
45 1H8D - PHW C45 H48 N3 O9 P COC=CCC(NC....
46 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
47 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S CC(C)CC(C(....
49 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
50 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
51 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
52 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
53 1UVT Ki = 0.023 uM I48 C20 H22 N3 O3 S Cc1cc(cc(c....
54 1ETR - MIT C23 H37 N6 O5 S CC1CCN(C(C....
55 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]N=C(c1c....
56 1ETT Ki = 1.3 uM 0ZG C22 H28 N4 O3 S Cc1ccc(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALZ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ALZ 1 1
2 AZL 0.548387 0.966102
3 ZPR 0.46988 0.762712
Ligand no: 2; Ligand: ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 1 1
2 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.785714 0.973684
3 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.726667 0.805195
4 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.726667 1
5 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.658228 0.883117
6 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.583851 0.792208
7 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.545977 0.839506
8 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.525 0.721519
9 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.52439 0.766234
10 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.514451 0.75
11 TRP ASP ILE PRO PHE 0.514286 0.684211
12 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.509317 0.6375
13 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.505882 0.716049
14 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.487805 0.766234
15 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.486842 0.701299
16 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.47486 0.636364
17 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.47093 0.728395
18 PRO GLN PTR GLU PTR ILE PRO ALA 0.467836 0.846154
19 TRP GLU TYR ILE PRO ASN VAL 0.465909 0.743902
20 PRO GLN PTR GLU GLU ILE PRO ILE 0.461988 0.820513
21 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.461538 0.794872
22 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.460674 0.825
23 LEU PHE GLY TYR PRO VAL TYR VAL 0.45509 0.766234
24 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.452128 0.703704
25 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.448864 0.779221
26 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.447059 0.753247
27 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.446328 0.769231
28 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.445087 0.701299
29 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.445087 0.766234
30 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.445087 0.766234
31 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.438503 0.72093
32 ACE GLN PM3 GLU GLU ILE PRO 0.433962 0.75641
33 LEU PRO PHE GLU ARG ALA THR ILE MET 0.433155 0.670455
34 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.432927 0.695122
35 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.430851 0.741176
36 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.428571 0.775
37 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.427778 0.753086
38 ALA PRO ALA TRP LEU PHE GLU ALA 0.426966 0.708861
39 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.426901 0.782051
40 VAL TYR ILE HIS PRO PHE 0.422857 0.725
41 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.421622 0.732558
42 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.417989 0.731707
43 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.416244 0.697674
44 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.416185 0.743902
45 LYS PRO PHE PTR VAL ASN VAL NH2 0.414773 0.8125
46 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.414365 0.696203
47 PHE ASN PHE PRO GLN ILE THR 0.413174 0.703704
48 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.412429 0.662791
49 SER SER TYR ARG ARG PRO VAL GLY ILE 0.411111 0.709302
50 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.410811 0.7375
51 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.410526 0.635294
52 ILE THR ASP GLN VAL PRO PHE SER VAL 0.410112 0.703704
53 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.410112 0.769231
54 PHE GLU ASP ASN PHE VAL PRO 0.409938 0.721519
55 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.409836 0.678571
56 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.409574 0.709302
57 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.409574 0.655172
58 ILE MET ASP GLN VAL PRO PHE SER VAL 0.40884 0.678571
59 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.404624 0.609756
60 SER SER PHE TYR PRO SEP ALA GLU GLY 0.404624 0.7875
61 DPN PRO DAR ILE NH2 0.403846 0.621951
62 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.403315 0.738095
63 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.402235 0.765432
64 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.402174 0.730769
65 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.402174 0.678571
66 LEU PRO PHE GLU ARG ALA THR VAL MET 0.402116 0.659091
67 LEU PRO PHE ASP LYS THR THR ILE MET 0.401099 0.707317
68 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.4 0.647727
69 THR PRO TYR ASP ILE ASN GLN MET LEU 0.4 0.714286
70 LEU ASN PHE PRO ILE SER PRO 0.4 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ANM; Ligand: CDO; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 2anm.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2PKA BEN 0.000000002348 0.78538
2 2PKA BEN 0.000000002348 0.78538
3 3LC3 IYX 0.0000000008946 0.78173
4 2PKA BEN 0.000000004638 0.76944
5 3LC3 IYX 0.000000001031 0.76551
6 2H9E DTY ILE ARG LEU LPD 0.000000000004934 0.73659
7 4BTI 7R9 0.0000000000444 0.7217
8 1XUJ BOZ 0.0000000009179 0.7212
9 4O97 NTX 0.00000000007615 0.71557
10 4ISH 1GE 0.0000000003179 0.70713
11 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 0.0000000002585 0.70295
12 1GJC 130 0.0000000003049 0.70002
13 1W13 SM1 0.0000000007382 0.6788
14 2VH6 GSV 0.0000000001614 0.67794
15 2P3T 993 0.0000000000495 0.67452
16 4BTI 7R9 0.0000000001074 0.66445
17 2P8O BVA 0.00000000002816 0.65553
18 2P8O BVA 0.00000000002816 0.65553
19 2EC9 24X 0.000000002577 0.65113
20 1PQ7 ARG 0.00000000001804 0.64631
21 1J17 ZEN 0.00000000002675 0.64477
22 3Q77 2HY 0.0000001211 0.64409
23 4TY7 39F 0.000000001061 0.63514
24 1YGC 905 0.000000002178 0.61847
25 1YGC 905 0.000000002178 0.61847
26 1UTJ ABN 0.000000002907 0.61814
27 4D8N 0HM 0.000000002149 0.61481
28 1NFU RRP 0.00000000002941 0.61325
29 4TY6 39D 0.000000002425 0.6109
30 1O5E 132 0.0000000001695 0.59857
31 4A6L P43 0.0000002029 0.57526
32 1FIW PBZ 0.0000000001681 0.57406
33 2BDG PBZ 0.00000000002132 0.56977
34 2B7D C1B 0.000000004111 0.56728
35 1T32 OHH 0.000000006028 0.56474
36 3N7O N7O 0.0000002049 0.56457
37 1RTF BEN 0.000000000004652 0.56268
38 1OSS BEN 0.00000000007286 0.55226
39 2OQ5 BEN 0.0000000000139 0.55061
40 1IAU ACE ILE GLU PRO ASJ 0.00000002073 0.54854
41 2ANY BAM 0.0000000000198 0.54788
42 1HPG BOC ALA ALA PRO GLU 0.0000228 0.54368
43 1A0J BEN 0.00000000004975 0.53488
44 1A0J BEN 0.00000000004975 0.53488
45 1H4W BEN 0.00000000005187 0.5346
46 2BDG PBZ 0.00000000002146 0.52558
47 1ELE 0QN 0.000003735 0.51782
48 2AIQ BEN 0.00000004601 0.48433
49 4NFE BEN 0.00000001726 0.48097
50 4SGA ACE PRO ALA PRO PHE 0.000003117 0.47453
51 2XCF BBQ 0.002011 0.43663
52 2CJU PHX 0.01902 0.41857
53 1AX2 NDG GAL 0.02456 0.40883
54 2OUA AES 0.000003513 0.40558
55 3SUD SUE 0.004064 0.40467
56 2X1L MET 0.03466 0.40461
57 3P7G MAN 0.03789 0.4044
58 3P8N L4T 0.003213 0.40332
59 4Q3F TLA 0.03064 0.40295
60 2OUA AES 0.0000009459 0.40205
61 3P8N L4T 0.001056 0.40054
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