Receptor
PDB id Resolution Class Description Source Keywords
1WBU 1.9 Å EC: 3.1.27.5 FRAGMENT BASED LEAD DISCOVERY USING CRYSTALLOGRAPHY BOS TAURUS RIBONUCLEASE INHIBITOR DIRECT PROTEIN SEQUENCING ENDONUCLEASE GLYCOPROTEIN HYDROLASE
Ref.: FRAGMENT-BASED LEAD DISCOVERY USING X-RAY CRYSTALLOGRAPHY J.MED.CHEM. V. 48 403 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
WBU A:1125;
B:1125;
 Valid;
Valid;
 none;
none;
 submit data
127.101 C4 H5 N3 O2 C1=C(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U1B 2 Å EC: 3.1.27.5 STRUCTURE OF BOVINE PANCREATIC RIBONUCLEASE A IN COMPLEX WIT PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHA BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CONSERVATION OF MUS-MS ENZYME MOTIONS IN THE APO- A SUBSTRATE-MIMICKED STATE. J.AM.CHEM.SOC. V. 127 9167 2005
Members (71)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1Z6D Ki = 4.6 mM IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 1O0H Ki = 1.2 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1JVU - C2P C9 H14 N3 O8 P C1=CN(C(=O....
4 3D7B Ki = 203 uM U4S C13 H19 N3 O5 C1CCN(C1)C....
5 3FL1 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
6 6PVW Ki = 0.48 uM OZV C10 H16 N5 O18 P5 c1nc(c2c(n....
7 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
8 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
10 2W5I Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
12 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
13 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
14 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
16 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
17 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
18 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
19 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
20 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
21 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
22 6PVV Ki = 1.4 uM 5FA C10 H18 N5 O19 P5 c1nc(c2c(n....
23 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
25 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
26 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
27 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
28 1RCN - DA DT DA DA n/a n/a
29 6PVX Ki = 0.068 uM U5F C9 H17 N2 O21 P5 C1=CN(C(=O....
30 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
31 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
32 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
33 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
34 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
35 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
36 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
38 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
39 3EV5 - TMO C3 H9 N O C[N+](C)(C....
40 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
41 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
42 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
43 6XHC - V2G C12 H17 N6 O8 P c1nc(c2c(n....
44 1W4O Ki = 3 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
45 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
46 2XOG Ki = 0.37 mM SFB C20 H28 N8 O11 S c1nc(c2c(n....
47 6YO1 - UVC C9 H12 N2 O9 V C1=CN(C(=O....
48 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
49 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
50 3EV3 - TBU C4 H10 O CC(C)(C)O
51 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
52 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
53 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
54 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
55 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
56 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
57 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
58 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
59 2XOI Ki = 0.00046 M SFB C20 H28 N8 O11 S c1nc(c2c(n....
60 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
61 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
62 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
63 1F0V - DC DG n/a n/a
64 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
65 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
66 1Z6S Ki = 46 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
67 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
68 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
69 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
71 5JLG - RU Ru [Ru+3]
70% Homology Family (81)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z6D Ki = 4.6 mM IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 1O0H Ki = 1.2 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1JVU - C2P C9 H14 N3 O8 P C1=CN(C(=O....
4 3D7B Ki = 203 uM U4S C13 H19 N3 O5 C1CCN(C1)C....
5 3FL1 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
6 6PVW Ki = 0.48 uM OZV C10 H16 N5 O18 P5 c1nc(c2c(n....
7 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
8 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
10 2W5I Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
12 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
13 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
14 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
16 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
17 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
18 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
19 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
20 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
21 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
22 6PVV Ki = 1.4 uM 5FA C10 H18 N5 O19 P5 c1nc(c2c(n....
23 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
25 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
26 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
27 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
28 1RCN - DA DT DA DA n/a n/a
29 6PVX Ki = 0.068 uM U5F C9 H17 N2 O21 P5 C1=CN(C(=O....
30 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
31 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
32 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
33 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
34 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
35 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
36 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
38 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
39 3EV5 - TMO C3 H9 N O C[N+](C)(C....
40 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
41 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
42 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
43 6XHC - V2G C12 H17 N6 O8 P c1nc(c2c(n....
44 1W4O Ki = 3 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
45 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
46 2XOG Ki = 0.37 mM SFB C20 H28 N8 O11 S c1nc(c2c(n....
47 6YO1 - UVC C9 H12 N2 O9 V C1=CN(C(=O....
48 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
49 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
50 3EV3 - TBU C4 H10 O CC(C)(C)O
51 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
52 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
53 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
54 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
55 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
56 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
57 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
58 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
59 2XOI Ki = 0.00046 M SFB C20 H28 N8 O11 S c1nc(c2c(n....
60 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
61 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
62 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
63 1F0V - DC DG n/a n/a
64 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
65 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
66 1Z6S Ki = 46 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
67 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
68 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
69 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
71 5JLG - RU Ru [Ru+3]
72 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
73 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
74 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
75 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
76 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
77 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
78 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
79 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
80 3DJX Ki = 1557.9 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
81 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
50% Homology Family (83)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z6D Ki = 4.6 mM IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 1O0H Ki = 1.2 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1JVU - C2P C9 H14 N3 O8 P C1=CN(C(=O....
4 3D7B Ki = 203 uM U4S C13 H19 N3 O5 C1CCN(C1)C....
5 3FL1 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
6 6PVW Ki = 0.48 uM OZV C10 H16 N5 O18 P5 c1nc(c2c(n....
7 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
8 3JW1 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
10 2W5I Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
12 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
13 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
14 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
16 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
17 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
18 1RNC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
19 4WYZ Kd = 50 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
20 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
21 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
22 6PVV Ki = 1.4 uM 5FA C10 H18 N5 O19 P5 c1nc(c2c(n....
23 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
25 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
26 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
27 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
28 1RCN - DA DT DA DA n/a n/a
29 6PVX Ki = 0.068 uM U5F C9 H17 N2 O21 P5 C1=CN(C(=O....
30 1RNM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
31 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
32 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
33 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
34 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
35 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
36 4WYP Kd = 440 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
38 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
39 3EV5 - TMO C3 H9 N O C[N+](C)(C....
40 4S18 - 1PT C6 H14 N2 Pt C1CC[C@@H]....
41 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....
42 4RTE - CPT Cl2 H6 N2 Pt [NH3][Pt](....
43 6XHC - V2G C12 H17 N6 O8 P c1nc(c2c(n....
44 1W4O Ki = 3 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
45 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
46 2XOG Ki = 0.37 mM SFB C20 H28 N8 O11 S c1nc(c2c(n....
47 6YO1 - UVC C9 H12 N2 O9 V C1=CN(C(=O....
48 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
49 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
50 3EV3 - TBU C4 H10 O CC(C)(C)O
51 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
52 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
53 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
54 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
55 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
56 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
57 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
58 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
59 2XOI Ki = 0.00046 M SFB C20 H28 N8 O11 S c1nc(c2c(n....
60 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
61 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
62 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
63 1F0V - DC DG n/a n/a
64 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
65 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
66 1Z6S Ki = 46 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
67 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
68 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
69 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
71 5JLG - RU Ru [Ru+3]
72 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
73 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
74 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
75 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
76 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
77 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
78 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
79 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
80 3DJX Ki = 1557.9 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
81 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
82 5ARK - UMP C9 H13 N2 O8 P C1[C@@H]([....
83 2RNF - UM3 C9 H13 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: WBU; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 WBU 1 1
2 URF 0.466667 0.804348
3 IUR 0.451613 0.804348
4 TDR 0.451613 0.840909
5 5UC 0.451613 0.804348
6 FYU 0.411765 0.840909
7 5NU 0.4 0.727273
8 HMU 0.4 0.72549
Similar Ligands (3D)
Ligand no: 1; Ligand: WBU; Similar ligands found: 1129
No: Ligand Similarity coefficient
1 PYD 1.0000
2 ICP 1.0000
3 1MC 1.0000
4 MCT 1.0000
5 4HO 0.9997
6 A1U 0.9989
7 MWM 0.9988
8 XBZ 0.9985
9 XYD 0.9979
10 2MP 0.9977
11 TH0 0.9975
12 34A 0.9967
13 4ZE 0.9967
14 2AC 0.9965
15 MZG 0.9956
16 XYP 0.9955
17 5MH 0.9947
18 43M 0.9947
19 FPY 0.9928
20 4JJ 0.9920
21 JZ2 0.9916
22 2YU 0.9912
23 4JO 0.9911
24 4CL 0.9909
25 LXC 0.9897
26 TM7 0.9894
27 BR9 0.9889
28 MWJ 0.9882
29 HT4 0.9866
30 3ZQ 0.9862
31 27Y 0.9856
32 IDH 0.9854
33 5JC 0.9849
34 40O 0.9845
35 RIP 0.9781
36 TLD 0.9777
37 H3M 0.9777
38 XYS 0.9772
39 AHR 0.9772
40 4XR 0.9770
41 CAQ 0.9757
42 URA 0.9754
43 RCO 0.9747
44 ABE 0.9745
45 4JU 0.9742
46 0MK 0.9736
47 LG3 0.9735
48 RSF 0.9734
49 CYT 0.9732
50 OXE 0.9726
51 2MH 0.9722
52 DFU 0.9721
53 26D 0.9720
54 3CH 0.9716
55 Y8I 0.9714
56 FUL 0.9710
57 R2B 0.9709
58 L89 0.9707
59 FUC 0.9698
60 1AN 0.9698
61 LG5 0.9697
62 0TR 0.9687
63 1PT 0.9687
64 284 0.9684
65 CRS 0.9684
66 FP2 0.9683
67 24B 0.9682
68 2AF 0.9677
69 8LG 0.9676
70 92Z 0.9673
71 HPA 0.9673
72 0R1 0.9672
73 1AB 0.9670
74 4JP 0.9669
75 NSP 0.9669
76 ZZT 0.9668
77 HMH 0.9666
78 76X 0.9663
79 1XX 0.9663
80 DUC 0.9657
81 MPI 0.9656
82 GVH 0.9654
83 JZ0 0.9653
84 LZ1 0.9653
85 PLQ 0.9652
86 25R 0.9651
87 EDG 0.9650
88 BZF 0.9649
89 ARB 0.9649
90 DEN 0.9649
91 OXZ 0.9646
92 IND 0.9645
93 150 0.9644
94 NK 0.9643
95 FCA 0.9642
96 PXY 0.9640
97 93Q 0.9639
98 BZI 0.9639
99 8GF 0.9639
100 PCR 0.9638
101 HQE 0.9637
102 BEW 0.9636
103 R8A 0.9634
104 RIB 0.9632
105 1WG 0.9630
106 HPY 0.9629
107 ADE 0.9629
108 IFM 0.9626
109 FPN 0.9625
110 IDM 0.9623
111 0CT 0.9621
112 JZ9 0.9618
113 938 0.9615
114 2CH 0.9615
115 DA1 0.9615
116 KOJ 0.9608
117 7HP 0.9608
118 LG4 0.9606
119 8H8 0.9606
120 9DA 0.9604
121 BVF 0.9604
122 10L 0.9603
123 282 0.9602
124 LCN 0.9589
125 FPI 0.9589
126 AMC 0.9582
127 7WA 0.9579
128 286 0.9579
129 JIF 0.9578
130 2CQ 0.9578
131 HTS 0.9577
132 G2F 0.9575
133 9HX 0.9575
134 7CZ 0.9573
135 6MP 0.9571
136 PYG 0.9571
137 3Z7 0.9570
138 3MC 0.9569
139 CYH 0.9568
140 285 0.9563
141 F05 0.9558
142 TH7 0.9558
143 JZ3 0.9557
144 YAN 0.9555
145 ASO 0.9554
146 TMT 0.9553
147 3DO 0.9552
148 BZX 0.9551
149 JFD 0.9548
150 G6D 0.9545
151 L3Q 0.9545
152 7MH 0.9544
153 J1Z 0.9544
154 PM6 0.9543
155 4CH 0.9540
156 MBD 0.9539
157 NOJ 0.9539
158 FFP 0.9537
159 3FA 0.9534
160 GMN 0.9533
161 6AI 0.9532
162 SYN 0.9531
163 1DW 0.9531
164 3XX 0.9531
165 NOY 0.9529
166 0R0 0.9528
167 23A 0.9527
168 4HS 0.9525
169 ES4 0.9524
170 JZ1 0.9524
171 BTE 0.9521
172 25W 0.9517
173 64K 0.9516
174 HBA 0.9514
175 ECE 0.9513
176 HBX 0.9513
177 T6C 0.9512
178 2C9 0.9511
179 CIG 0.9509
180 45C 0.9509
181 6X8 0.9508
182 CXL 0.9506
183 F4Z 0.9506
184 5H1 0.9505
185 5MB 0.9505
186 9EW 0.9504
187 2MY 0.9502
188 DAB 0.9502
189 GLC 0.9501
190 TMZ 0.9499
191 35C 0.9498
192 V1L 0.9497
193 4XX 0.9496
194 2K4 0.9495
195 ARA 0.9494
196 AZF 0.9494
197 BML 0.9494
198 4JN 0.9493
199 FLM 0.9493
200 HAI 0.9493
201 OXQ 0.9493
202 HLR 0.9492
203 MRY 0.9492
204 F60 0.9491
205 BP1 0.9490
206 ICC 0.9485
207 HX3 0.9483
208 270 0.9479
209 275 0.9474
210 ES9 0.9474
211 LMR 0.9473
212 DFB 0.9473
213 B53 0.9470
214 ICF 0.9470
215 M3T 0.9470
216 PHB 0.9470
217 14O 0.9469
218 B3R 0.9466
219 47J 0.9463
220 5MI 0.9462
221 F81 0.9462
222 M1A 0.9461
223 4H2 0.9461
224 AX7 0.9458
225 TC7 0.9458
226 280 0.9456
227 XXR 0.9456
228 FUB 0.9455
229 2XX 0.9452
230 4ZC 0.9451
231 PY7 0.9451
232 RP7 0.9449
233 SAL 0.9449
234 ABN 0.9448
235 R1X 0.9446
236 HEW 0.9442
237 ADZ 0.9441
238 11S 0.9439
239 G4D 0.9439
240 BEZ 0.9438
241 Q88 0.9437
242 3CE 0.9435
243 HGQ 0.9431
244 SVN 0.9431
245 DTL 0.9430
246 6MH 0.9429
247 FK1 0.9427
248 YCP 0.9426
249 OAA 0.9425
250 0RW 0.9424
251 DGJ 0.9423
252 QUZ 0.9423
253 NPY 0.9421
254 ES0 0.9421
255 1MR 0.9420
256 6M4 0.9420
257 23W 0.9418
258 MLT 0.9417
259 2CM 0.9415
260 ISN 0.9415
261 9DG 0.9412
262 GBD 0.9408
263 JZ7 0.9408
264 BEN 0.9407
265 H4N 0.9406
266 6PC 0.9404
267 P3K 0.9402
268 IOL 0.9401
269 P92 0.9400
270 PYF 0.9399
271 FUF 0.9398
272 IFL 0.9398
273 TM4 0.9396
274 FCB 0.9395
275 82I 0.9391
276 2MI 0.9390
277 BAM 0.9390
278 67N 0.9389
279 2IM 0.9389
280 6HQ 0.9388
281 3MH 0.9387
282 L60 0.9383
283 2DR 0.9383
284 F5B 0.9382
285 7W4 0.9380
286 LRH 0.9379
287 CWM 0.9377
288 NCA 0.9377
289 ABV 0.9376
290 7B4 0.9375
291 A2Q 0.9375
292 DUB 0.9374
293 Z6J 0.9374
294 ALO 0.9373
295 IPH 0.9373
296 8NY 0.9372
297 GUN 0.9371
298 RNS 0.9370
299 JAE 0.9369
300 YHO 0.9369
301 6M9 0.9369
302 4VP 0.9368
303 HHA 0.9368
304 RM4 0.9368
305 12M 0.9366
306 IMR 0.9364
307 6UA 0.9364
308 FBA 0.9363
309 MFB 0.9363
310 XQ0 0.9362
311 MAK 0.9360
312 KKN 0.9359
313 NBZ 0.9356
314 2CK 0.9355
315 BE2 0.9354
316 GAL 0.9353
317 9PO 0.9353
318 YTB 0.9352
319 3RK 0.9349
320 O72 0.9347
321 HY3 0.9347
322 HRZ 0.9346
323 CEJ 0.9345
324 N5J 0.9345
325 3F0 0.9344
326 2KT 0.9344
327 HHQ 0.9343
328 IF7 0.9342
329 GAG 0.9341
330 AGK 0.9340
331 1NP 0.9339
332 1SQ 0.9338
333 NMJ 0.9338
334 5WV 0.9335
335 HQY 0.9334
336 RAM 0.9333
337 H8N 0.9333
338 3U4 0.9332
339 AZA 0.9332
340 LER 0.9331
341 3HA 0.9331
342 5SG 0.9330
343 LDU 0.9330
344 A2F 0.9329
345 6AP 0.9329
346 1LQ 0.9329
347 TBP 0.9329
348 MBN 0.9329
349 DBH 0.9328
350 4AP 0.9328
351 2AP 0.9328
352 HVK 0.9328
353 AX2 0.9328
354 C2A 0.9327
355 5Q0 0.9326
356 5IQ 0.9326
357 3M0 0.9326
358 XM0 0.9326
359 BR8 0.9325
360 QOS 0.9324
361 4YS 0.9324
362 WDL 0.9324
363 HIU 0.9324
364 JPZ 0.9323
365 3AP 0.9323
366 WOT 0.9323
367 V55 0.9323
368 4JL 0.9323
369 URQ 0.9323
370 NIO 0.9323
371 KIV 0.9322
372 4HM 0.9321
373 FOA 0.9321
374 MB3 0.9319
375 XAN 0.9319
376 ES6 0.9318
377 ES1 0.9317
378 5AN 0.9317
379 ES7 0.9315
380 AZG 0.9315
381 FE DB1 0.9315
382 LGA 0.9313
383 1LM 0.9313
384 GXE 0.9311
385 2A9 0.9310
386 PZA 0.9310
387 24W 0.9309
388 CFP 0.9307
389 VGL 0.9306
390 JBE 0.9305
391 PYC 0.9305
392 4M4 0.9303
393 290 0.9302
394 GIF 0.9302
395 PRO 0.9302
396 EUG 0.9301
397 NEQ 0.9300
398 SOE 0.9300
399 4SV 0.9300
400 3AY 0.9297
401 IGA 0.9296
402 C2B 0.9295
403 8GC 0.9295
404 F0J 0.9294
405 1XM 0.9294
406 BGC 0.9292
407 JBH 0.9290
408 141 0.9289
409 SWD 0.9288
410 NTN 0.9286
411 GYE 0.9284
412 G3F 0.9283
413 APY 0.9281
414 5AC 0.9280
415 9CL 0.9280
416 93B 0.9277
417 PCA 0.9276
418 EXO 0.9273
419 5CU 0.9272
420 B24 0.9272
421 AFR 0.9271
422 4NC 0.9270
423 5ZE 0.9268
424 2ZX 0.9267
425 13X 0.9267
426 8CL 0.9267
427 265 0.9265
428 KSW 0.9264
429 HUI 0.9263
430 S76 0.9262
431 4CS 0.9262
432 PRS 0.9260
433 1P7 0.9258
434 YH7 0.9257
435 GIO 0.9257
436 SJ5 0.9257
437 QWN 0.9257
438 HH5 0.9256
439 DGY 0.9255
440 BE7 0.9254
441 DTI 0.9253
442 DMD 0.9253
443 3ID 0.9252
444 2D0 0.9252
445 BOA 0.9251
446 2PC 0.9251
447 5RG 0.9251
448 HH8 0.9249
449 CRN 0.9249
450 ADK 0.9248
451 DX4 0.9243
452 COU 0.9242
453 PYJ 0.9241
454 QSC 0.9241
455 9X7 0.9239
456 25T 0.9239
457 UNU 0.9238
458 4XH 0.9238
459 SER 0.9237
460 GCS 0.9237
461 BCP 0.9235
462 1XN 0.9234
463 DHB 0.9234
464 94N 0.9233
465 MNM 0.9231
466 LGC 0.9230
467 KYD 0.9230
468 03V 0.9229
469 SS1 0.9229
470 260 0.9228
471 DOB 0.9228
472 FA0 0.9228
473 VAL 0.9227
474 DXX 0.9226
475 RSO 0.9226
476 VNJ 0.9225
477 HYN 0.9223
478 BP9 0.9223
479 MZW 0.9223
480 DMJ 0.9221
481 8S0 0.9219
482 TZC 0.9217
483 JBN 0.9217
484 1WD 0.9217
485 2RA 0.9217
486 DMG 0.9216
487 4AX 0.9215
488 DSN 0.9214
489 DBB 0.9213
490 A3B 0.9213
491 ASN 0.9212
492 6CS 0.9212
493 HSL 0.9212
494 AKB 0.9212
495 KG7 0.9212
496 3PY 0.9210
497 4JM 0.9210
498 7EX 0.9210
499 BHA 0.9209
500 BHO 0.9209
501 3DM 0.9209
502 GOO 0.9208
503 JB5 0.9207
504 24T 0.9207
505 AC0 0.9207
506 EQT 0.9205
507 60P 0.9204
508 ALL 0.9204
509 3MA 0.9203
510 JAB 0.9202
511 3NT 0.9199
512 8EZ 0.9198
513 QXW 0.9196
514 SEJ 0.9196
515 NPO 0.9196
516 4M0 0.9195
517 FP1 0.9194
518 4FS 0.9194
519 JKE 0.9193
520 GTQ 0.9193
521 IQ0 0.9193
522 3AB 0.9193
523 HHN 0.9192
524 GAF 0.9190
525 3SK 0.9188
526 9TY 0.9188
527 TP5 0.9187
528 H42 0.9187
529 2AQ 0.9185
530 6LW 0.9185
531 ERH 0.9183
532 2A7 0.9183
533 XIX 0.9182
534 OHG 0.9182
535 3SL 0.9180
536 IT2 0.9180
537 1DU 0.9179
538 SPV 0.9178
539 5M0 0.9178
540 3HB 0.9178
541 ILE 0.9176
542 MMZ 0.9175
543 TTO 0.9175
544 278 0.9175
545 BSX 0.9175
546 HY1 0.9173
547 ITN 0.9171
548 GLA 0.9171
549 5HN 0.9171
550 TAR 0.9169
551 P9P 0.9169
552 THR 0.9167
553 0CU 0.9164
554 7HQ 0.9164
555 DPR 0.9164
556 IPB 0.9163
557 5B1 0.9163
558 X6X 0.9162
559 7WV 0.9160
560 UEG 0.9160
561 I3A 0.9160
562 MLI 0.9160
563 H76 0.9159
564 KBG 0.9158
565 MRZ 0.9158
566 INO 0.9157
567 HZP 0.9156
568 WOO 0.9155
569 1DH 0.9154
570 MZ0 0.9154
571 SMV 0.9153
572 URC 0.9152
573 RUU 0.9151
574 GAB 0.9151
575 DIE 0.9150
576 ES5 0.9149
577 CYS 0.9149
578 GXL 0.9148
579 DAS 0.9147
580 TFB 0.9145
581 PAF 0.9145
582 4PW 0.9145
583 6GU 0.9145
584 36R 0.9144
585 ABA 0.9144
586 FLA 0.9143
587 DTU 0.9143
588 TLA 0.9143
589 CLW 0.9142
590 PBC 0.9142
591 717 0.9141
592 GLF 0.9141
593 948 0.9140
594 MYJ 0.9140
595 NNO 0.9137
596 URP 0.9137
597 M2H 0.9135
598 UY7 0.9135
599 ISE 0.9135
600 5VM 0.9134
601 9TZ 0.9134
602 HYP 0.9133
603 1P8 0.9132
604 DMI 0.9131
605 4A3 0.9131
606 PXM 0.9128
607 GRE 0.9128
608 BTY 0.9128
609 94B 0.9127
610 CIZ 0.9127
611 53C 0.9123
612 6F0 0.9122
613 FDB 0.9122
614 ET2 0.9121
615 2ZV 0.9120
616 54G 0.9120
617 7VJ 0.9120
618 FHB 0.9120
619 C5J 0.9119
620 9YL 0.9118
621 2EC 0.9116
622 HSE 0.9116
623 261 0.9115
624 XX2 0.9114
625 O7U 0.9112
626 OCH 0.9110
627 NVI 0.9109
628 PXL 0.9106
629 PA1 0.9106
630 14J 0.9106
631 273 0.9106
632 M58 0.9105
633 PIH 0.9105
634 INS 0.9103
635 3HM 0.9103
636 XQG 0.9100
637 GLU 0.9100
638 RM1 0.9100
639 B55 0.9099
640 MLA 0.9098
641 2HO 0.9097
642 FPK 0.9097
643 E60 0.9097
644 R8S 0.9096
645 HGW 0.9094
646 XLS 0.9094
647 93K 0.9094
648 2FG 0.9093
649 2H5 0.9093
650 1GN 0.9093
651 TEO 0.9089
652 VOH 0.9089
653 SIN 0.9088
654 FAN 0.9086
655 B57 0.9086
656 OVV 0.9086
657 MR1 0.9085
658 5JQ 0.9083
659 KJY 0.9082
660 GIV 0.9082
661 98J 0.9081
662 IP0 0.9080
663 3OC 0.9078
664 YIO 0.9078
665 0P6 0.9077
666 32O 0.9071
667 6M1 0.9071
668 FH2 0.9070
669 8TX 0.9070
670 WCE 0.9069
671 XBT 0.9069
672 FRU 0.9068
673 BDF 0.9068
674 TZE 0.9067
675 75K 0.9066
676 HJP 0.9065
677 LZM 0.9063
678 NXA 0.9063
679 DCY 0.9062
680 C21 0.9060
681 149 0.9060
682 54D 0.9059
683 NVA 0.9059
684 ASP 0.9059
685 CN0 0.9058
686 QSB 0.9058
687 MSN 0.9053
688 FDK 0.9052
689 PAB 0.9052
690 SWA 0.9051
691 2LP 0.9050
692 ZZ3 0.9049
693 XUL 0.9049
694 5JL 0.9047
695 1P3 0.9047
696 ES2 0.9046
697 42A 0.9044
698 9MG 0.9044
699 0W8 0.9043
700 NBE 0.9042
701 Z82 0.9041
702 3V4 0.9040
703 LYL 0.9039
704 NIZ 0.9039
705 HIO 0.9038
706 ZXD 0.9037
707 VNL 0.9036
708 69O 0.9036
709 3BZ 0.9035
710 5XC 0.9033
711 9TW 0.9033
712 BRT 0.9032
713 SRT 0.9028
714 BDP 0.9026
715 FOT 0.9026
716 KT7 0.9025
717 UNC 0.9025
718 1Y6 0.9025
719 SX1 0.9024
720 BMA 0.9022
721 ARW 0.9022
722 MAN 0.9021
723 5MK 0.9020
724 51F 0.9020
725 CWS 0.9019
726 40E 0.9018
727 LFR 0.9018
728 HBD 0.9018
729 4JT 0.9017
730 PBE 0.9017
731 RHU 0.9016
732 MAE 0.9014
733 CHB 0.9013
734 VGD 0.9013
735 8IG 0.9012
736 DHK 0.9012
737 5CL 0.9008
738 SS2 0.9008
739 AZ8 0.9008
740 KUF 0.9006
741 TCZ 0.9005
742 N8P 0.9005
743 5OB 0.9005
744 XAZ 0.9005
745 PE0 0.9001
746 DBJ 0.9001
747 86J 0.9001
748 ORO 0.9001
749 CXF 0.9000
750 MEW 0.8999
751 A7W 0.8999
752 ZBT 0.8993
753 JZ4 0.8992
754 AC6 0.8990
755 1LN 0.8990
756 SHG 0.8988
757 K2T 0.8987
758 CFI 0.8986
759 N7P 0.8986
760 95Z 0.8985
761 CGB 0.8983
762 QBK 0.8983
763 Q24 0.8982
764 GXY 0.8982
765 PZM 0.8981
766 DIG 0.8981
767 PRY 0.8980
768 FBB 0.8979
769 PBZ 0.8979
770 6KX 0.8975
771 8CM 0.8974
772 192 0.8974
773 PAV 0.8974
774 LDP 0.8972
775 EKZ 0.8972
776 FQI 0.8971
777 SF9 0.8970
778 7WG 0.8970
779 PZI 0.8970
780 8WO 0.8969
781 826 0.8967
782 IHB 0.8967
783 HCS 0.8966
784 RB5 0.8964
785 XYL 0.8964
786 BZ3 0.8964
787 MBG 0.8963
788 OXC 0.8962
789 4HC 0.8961
790 R8V 0.8961
791 BVC 0.8960
792 HFB 0.8959
793 KPL 0.8957
794 39A 0.8955
795 ISZ 0.8953
796 IJZ 0.8952
797 BNS 0.8951
798 DOR 0.8950
799 JBK 0.8949
800 BVG 0.8949
801 M1E 0.8948
802 KP6 0.8948
803 174 0.8948
804 XIY 0.8947
805 A65 0.8946
806 AQO 0.8945
807 3WA 0.8944
808 4MA 0.8944
809 M5K 0.8943
810 JZ5 0.8941
811 E7Z 0.8941
812 4AA 0.8935
813 ZWZ 0.8935
814 2MN 0.8933
815 FBM 0.8932
816 7W1 0.8931
817 AUD 0.8931
818 I1N 0.8929
819 J9W 0.8929
820 IOM 0.8927
821 QX2 0.8926
822 PEA 0.8925
823 12Q 0.8924
824 QWW 0.8921
825 FW5 0.8919
826 P2D 0.8912
827 8WT 0.8909
828 HLZ 0.8907
829 32X 0.8906
830 HDA 0.8904
831 5QX 0.8903
832 2HQ 0.8903
833 MRW 0.8902
834 F9P 0.8900
835 SHA 0.8898
836 TTL 0.8897
837 1AC 0.8896
838 2EZ 0.8896
839 3Z8 0.8895
840 FA1 0.8894
841 HVQ 0.8894
842 C2U 0.8893
843 AJ2 0.8893
844 1M2 0.8891
845 7VS 0.8891
846 TMH 0.8891
847 G5V 0.8887
848 IPZ 0.8885
849 UGC 0.8882
850 HZQ 0.8881
851 4FA 0.8881
852 5WX 0.8879
853 MT0 0.8878
854 TFU 0.8877
855 JBQ 0.8875
856 GLT 0.8875
857 KJH 0.8873
858 7NI 0.8873
859 BCF 0.8872
860 D1X 0.8872
861 SGL 0.8871
862 DQN 0.8870
863 5RN 0.8870
864 DIU 0.8869
865 IV2 0.8868
866 271 0.8867
867 MO8 0.8867
868 HQT 0.8866
869 F9Y 0.8865
870 LEU 0.8864
871 MFU 0.8861
872 MWP 0.8860
873 PEL 0.8859
874 DHQ 0.8859
875 BBF 0.8858
876 G3E 0.8856
877 DIN 0.8853
878 M1Q 0.8851
879 MXN 0.8849
880 1DQ 0.8849
881 EA1 0.8849
882 LT2 0.8842
883 495 0.8841
884 1DV 0.8838
885 42J 0.8835
886 DHS 0.8835
887 DYA 0.8834
888 CEE 0.8833
889 7N0 0.8833
890 SKA 0.8831
891 34D 0.8830
892 P72 0.8825
893 KIB 0.8823
894 KIA 0.8823
895 F3B 0.8823
896 GCU 0.8823
897 AW5 0.8821
898 F31 0.8821
899 3PF 0.8821
900 PFB 0.8821
901 FBV 0.8819
902 T2C 0.8816
903 PEP 0.8816
904 5DI 0.8814
905 TEP 0.8810
906 DRL 0.8810
907 Q6T 0.8809
908 AC5 0.8809
909 5QY 0.8809
910 NDM 0.8808
911 GDE 0.8806
912 NTM 0.8802
913 ASC 0.8799
914 2GS 0.8798
915 HSM 0.8798
916 42C 0.8797
917 OK7 0.8797
918 CTL 0.8796
919 3MT 0.8796
920 AAE 0.8794
921 SW7 0.8791
922 SKM 0.8791
923 TPA 0.8791
924 4P5 0.8788
925 YRL 0.8786
926 3FH 0.8786
927 2TQ 0.8785
928 XRG 0.8784
929 7D2 0.8783
930 CTS 0.8782
931 2AL 0.8781
932 HIS 0.8777
933 IBF 0.8775
934 4Z4 0.8775
935 EYK 0.8774
936 DBX 0.8773
937 HXX 0.8772
938 IFP 0.8771
939 3MG 0.8771
940 JLZ 0.8770
941 51R 0.8769
942 ODV 0.8769
943 173 0.8769
944 GCB 0.8768
945 FB1 0.8768
946 TIU 0.8766
947 PHT 0.8765
948 NDH 0.8763
949 ATQ 0.8762
950 0JD 0.8762
951 SR1 0.8761
952 M2K 0.8761
953 NCM 0.8758
954 BAQ 0.8757
955 H7Y 0.8756
956 CP 0.8756
957 MUA 0.8755
958 KLW 0.8754
959 2BG 0.8753
960 X0V 0.8753
961 AKH 0.8752
962 OXL 0.8752
963 ZB1 0.8751
964 B62 0.8749
965 AEF 0.8749
966 4XV 0.8747
967 QSH 0.8747
968 COI 0.8746
969 3IT 0.8744
970 M0Q 0.8742
971 BAE 0.8742
972 LSA 0.8742
973 MQN 0.8740
974 LKA 0.8739
975 5RO 0.8739
976 CSS 0.8738
977 GBL 0.8737
978 8ZE 0.8736
979 AMG 0.8736
980 EVA 0.8736
981 M6N 0.8735
982 OXM 0.8735
983 4YO 0.8731
984 6RQ 0.8729
985 OVM 0.8728
986 PHU 0.8728
987 7MU 0.8727
988 2OP 0.8727
989 PCI 0.8726
990 GLL 0.8726
991 DZX 0.8725
992 SE2 0.8724
993 PKU 0.8723
994 1U6 0.8722
995 ADA 0.8721
996 D48 0.8721
997 J5I 0.8720
998 329 0.8718
999 0TU 0.8716
1000 SVD 0.8712
1001 1CB 0.8711
1002 OXD 0.8710
1003 SYV 0.8707
1004 EV0 0.8706
1005 E5X 0.8706
1006 44V 0.8705
1007 PTO 0.8704
1008 RMN 0.8704
1009 4XS 0.8703
1010 RBJ 0.8702
1011 4JQ 0.8701
1012 XHP 0.8700
1013 37T 0.8700
1014 KMT 0.8698
1015 9X6 0.8697
1016 FGZ 0.8695
1017 PMB 0.8693
1018 JA8 0.8691
1019 EOL 0.8690
1020 5GU 0.8689
1021 GTR 0.8689
1022 FB2 0.8689
1023 AMT 0.8688
1024 ABU 0.8688
1025 QY9 0.8687
1026 DHR 0.8685
1027 AEH 0.8682
1028 FBT 0.8681
1029 GLY PRO 0.8681
1030 PRF 0.8681
1031 PAC 0.8680
1032 ICO 0.8680
1033 I2M 0.8679
1034 MET 0.8679
1035 PAE 0.8677
1036 OTW 0.8675
1037 AZ9 0.8671
1038 XCZ 0.8669
1039 PSV 0.8669
1040 JXN 0.8668
1041 PYR 0.8666
1042 PQ0 0.8663
1043 4MZ 0.8662
1044 OW4 0.8661
1045 M0W 0.8660
1046 0V5 0.8660
1047 PYQ 0.8651
1048 SAN 0.8651
1049 GZL 0.8650
1050 B60 0.8649
1051 SXS 0.8645
1052 1MZ 0.8644
1053 SFU 0.8642
1054 D07 0.8642
1055 12B 0.8641
1056 2PG 0.8641
1057 44W 0.8640
1058 0FO 0.8638
1059 HGY 0.8637
1060 8OZ 0.8633
1061 YSO 0.8632
1062 MZB 0.8631
1063 3TR 0.8630
1064 LNR 0.8630
1065 TTY 0.8630
1066 KJU 0.8628
1067 NIS 0.8625
1068 SYG 0.8623
1069 NQ 0.8620
1070 BEA 0.8619
1071 NK2 0.8618
1072 0HO 0.8617
1073 680 0.8613
1074 ALA 0.8612
1075 4FH 0.8610
1076 S0H 0.8603
1077 MR3 0.8602
1078 DQU 0.8600
1079 LAC 0.8600
1080 069 0.8598
1081 PNZ 0.8598
1082 MMA 0.8595
1083 PYM 0.8593
1084 HQD 0.8592
1085 HOW 0.8591
1086 6ME 0.8589
1087 DCD 0.8589
1088 FA3 0.8588
1089 SOR 0.8588
1090 FCR 0.8587
1091 2FY 0.8586
1092 2AI 0.8585
1093 JUG 0.8584
1094 M4T 0.8580
1095 6JN 0.8580
1096 KBB 0.8579
1097 BUO 0.8578
1098 2MZ 0.8578
1099 N2I 0.8578
1100 NAK 0.8576
1101 B20 0.8575
1102 M1H 0.8574
1103 T9G 0.8574
1104 4NM 0.8573
1105 MVN 0.8572
1106 4SX 0.8570
1107 3NY 0.8570
1108 QX4 0.8568
1109 DAL 0.8567
1110 VK3 0.8566
1111 FBW 0.8565
1112 92K 0.8561
1113 TSS 0.8561
1114 A13 0.8560
1115 GOL 0.8557
1116 G1O 0.8556
1117 KDV 0.8556
1118 RXA 0.8553
1119 OVP 0.8552
1120 UAN 0.8551
1121 0PY 0.8549
1122 ANN 0.8548
1123 5KX 0.8547
1124 BNZ 0.8545
1125 4ZA 0.8532
1126 APZ 0.8530
1127 ODO 0.8526
1128 SN4 0.8526
1129 K17 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U1B; Ligand: PAX; 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: 1u1b.bio2) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1U1B; Ligand: PAX; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 1u1b.bio1) has 79 residues
No: Leader PDB Ligand Sequence Similarity
1 2GMK AMP 40.3846
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