Receptor
PDB id Resolution Class Description Source Keywords
6PVX 1.55 Å EC: 3.1.27.5 RNASE A IN COMPLEX WITH P5U BOS TAURUS RNASE A NUCLEOTIDE POLY-PHOSPHATE LYASE
Ref.: NUCLEOSIDE TETRA- AND PENTAPHOSPHATES PREPARED USIN TETRAPHOSPHORYLATION REAGENT ARE POTENT INHIBITORS RIBONUCLEASE A. J.AM.CHEM.SOC. V. 141 18400 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
U5F A:201;
A:202;
B:201;
Valid;
Valid;
Valid;
Atoms found MORE than expected: % Diff = 1.108;
Atoms found MORE than expected: % Diff = 1.784;
none;
Ki = 0.068 uM
644.101 C9 H17 N2 O21 P5 C1=CN...
View in 3D viewer
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: U5F; Similar ligands found: 122
No: Ligand ECFP6 Tc MDL keys Tc
1 U5F 1 1
2 UTP 0.984375 1
3 UDP 0.878788 1
4 UNP 0.756757 0.970149
5 U5P 0.735294 0.984615
6 U 0.735294 0.984615
7 UFM 0.703704 0.941176
8 UPG 0.703704 0.941176
9 GDU 0.703704 0.941176
10 UPU 0.692308 0.940298
11 UDH 0.691358 0.864865
12 UPP 0.691358 0.941176
13 2KH 0.684211 0.970149
14 URM 0.682927 0.927536
15 660 0.682927 0.927536
16 44P 0.680556 0.955882
17 UFG 0.678571 0.888889
18 U2F 0.678571 0.888889
19 UPF 0.678571 0.888889
20 AWU 0.674699 0.941176
21 UAD 0.658824 0.941176
22 UDX 0.658824 0.941176
23 UDP UDP 0.653333 0.939394
24 3UC 0.647727 0.888889
25 UGA 0.643678 0.955224
26 UGB 0.643678 0.955224
27 USQ 0.643678 0.820513
28 G3N 0.636364 0.914286
29 UGF 0.636364 0.901408
30 UD2 0.612903 0.927536
31 UD1 0.612903 0.927536
32 HF4 0.6125 0.942029
33 CTP 0.6125 0.942029
34 UP5 0.612245 0.853333
35 UDM 0.608696 0.914286
36 BUP 0.604938 0.928571
37 DUT 0.592593 0.913043
38 URI 0.588235 0.863636
39 HP7 0.583333 0.941176
40 UD7 0.583333 0.927536
41 Y6W 0.579545 0.888889
42 MJZ 0.57732 0.914286
43 UD4 0.571429 0.914286
44 F5G 0.571429 0.927536
45 12V 0.571429 0.901408
46 HWU 0.571429 0.901408
47 F5P 0.571429 0.914286
48 UDP GAL 0.566667 0.913043
49 IUG 0.56 0.810127
50 EPZ 0.553398 0.914286
51 UDZ 0.54902 0.853333
52 EPU 0.548077 0.901408
53 EEB 0.548077 0.901408
54 CJB 0.541667 0.820895
55 CDP 0.536585 0.942029
56 4TC 0.52381 0.831169
57 U3P 0.519481 0.939394
58 UA3 0.519481 0.939394
59 CSV 0.510204 0.851351
60 CSQ 0.510204 0.851351
61 UMA 0.508929 0.914286
62 U4S 0.506329 0.753425
63 DUD 0.506024 0.913043
64 5GW 0.5 0.942029
65 U2S 0.493827 0.767123
66 U3S 0.493827 0.753425
67 FZK 0.488889 0.777778
68 H6Y 0.483871 0.851351
69 U21 0.483051 0.810127
70 U20 0.483051 0.810127
71 U22 0.483051 0.790123
72 U2P 0.481013 0.954545
73 4GW 0.479167 0.915493
74 8GT 0.478261 0.855263
75 U1S 0.477778 0.75
76 2QR 0.475 0.822785
77 5FU 0.469136 0.914286
78 PUP 0.46875 0.913043
79 C5G 0.463918 0.888889
80 DKX 0.461538 0.746479
81 0RC 0.461538 0.864865
82 MGT 0.458333 0.780488
83 LSU 0.452632 0.738095
84 4RA 0.448819 0.855263
85 C2G 0.446809 0.901408
86 7XL 0.445652 0.888889
87 UAG 0.445312 0.864865
88 UD0 0.44186 0.844156
89 2TM 0.43956 0.902778
90 UMF 0.439024 0.857143
91 YSU 0.435644 0.746988
92 91P 0.433628 0.802469
93 CAR 0.428571 0.927536
94 C5P 0.428571 0.927536
95 UMP 0.428571 0.898551
96 DU 0.428571 0.898551
97 2GW 0.428571 0.901408
98 2TU 0.428571 0.774648
99 C 0.428571 0.927536
100 G8D 0.425532 0.855263
101 CDM 0.424242 0.842105
102 TTP 0.423913 0.875
103 5BU 0.423529 0.914286
104 UTP U U U 0.42268 0.895522
105 8OD 0.421053 0.851351
106 UC5 0.420455 0.9
107 N3E 0.420455 0.733333
108 CXY 0.415842 0.888889
109 UUA 0.415584 0.772727
110 PRT 0.415094 0.813333
111 1GW 0.414414 0.864865
112 CDC 0.414141 0.777778
113 DUP 0.413043 0.887324
114 CNU 0.409091 0.927536
115 DCP 0.408602 0.849315
116 UML 0.407143 0.810127
117 UPA 0.403509 0.842105
118 16B 0.402299 0.888889
119 D3T 0.402174 0.875
120 GTF 0.4 0.849315
121 BMP 0.4 0.970149
122 S5P 0.4 0.915493
Similar Ligands (3D)
Ligand no: 1; Ligand: U5F; Similar ligands found: 0
No: Ligand Similarity coefficient
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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