Receptor
PDB id Resolution Class Description Source Keywords
1JN4 1.8 Å EC: 3.1.27.5 THE CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 2'- DEOXYURIDINE 3'-PYROPHOSPHATE (P'-5') ADENOSINE BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CLEAVAGE OF 3',5'-PYROPHOSPHATE-LINKED DINUCLEOTIDE RIBONUCLEASE A AND ANGIOGENIN BIOCHEMISTRY V. 40 10262 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
139 A:901;
Valid;
none;
Ki = 11.3 uM
637.388 C19 H25 N7 O14 P2 c1nc(...
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 (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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 = 4.7 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 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
44 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
45 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
46 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
47 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
48 3EV3 - TBU C4 H10 O CC(C)(C)O
49 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
50 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
51 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
52 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
53 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
54 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
55 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
56 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
57 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
58 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
59 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
60 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
61 1F0V - DC DG n/a n/a
62 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
63 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
64 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
65 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
66 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
67 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
68 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
69 5JLG - RU Ru [Ru+3]
70% Homology Family (79)
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 = 4.7 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 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
44 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
45 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
46 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
47 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
48 3EV3 - TBU C4 H10 O CC(C)(C)O
49 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
50 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
51 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
52 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
53 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
54 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
55 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
56 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
57 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
58 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
59 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
60 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
61 1F0V - DC DG n/a n/a
62 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
63 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
64 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
65 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
66 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
67 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
68 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
69 5JLG - RU Ru [Ru+3]
70 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
71 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
72 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
73 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
74 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
75 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
76 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
77 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
78 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
79 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
50% 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 = 4.7 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 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
44 1RNN - C5P C9 H14 N3 O8 P C1=CN(C(=O....
45 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
46 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
47 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
48 3EV3 - TBU C4 H10 O CC(C)(C)O
49 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
50 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
51 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
52 6QE9 - J9H C17 H18 N3 Pt Cc1ccc2ccc....
53 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
54 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
55 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
56 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 c1nc(c2c(n....
57 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
58 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
59 5OGH - C3P C9 H14 N3 O8 P C1=CN(C(=O....
60 5NA9 - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
61 1F0V - DC DG n/a n/a
62 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
63 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
64 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
65 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
66 6F60 - DVW C27 H31 N7 O5 Pt CC1=CC=C2C....
67 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
68 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
69 5JLG - RU Ru [Ru+3]
70 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
71 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
72 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
73 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
74 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
75 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
76 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
77 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
78 3DJX Ki = 1557 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
79 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
80 5ARK - UMP C9 H13 N2 O8 P C1[C@@H]([....
81 2RNF - UM3 C9 H13 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 139; Similar ligands found: 268
No: Ligand ECFP6 Tc MDL keys Tc
1 139 1 1
2 PUA 0.731092 0.962025
3 UP5 0.678261 0.948718
4 UPA 0.652542 0.961538
5 4TC 0.652542 0.925
6 A2D 0.61 0.897436
7 ADQ 0.603604 0.898734
8 BA3 0.598039 0.897436
9 AGS 0.59434 0.831325
10 SAP 0.59434 0.831325
11 AP5 0.592233 0.897436
12 ADP 0.592233 0.873418
13 B4P 0.592233 0.897436
14 ATP 0.590476 0.873418
15 HEJ 0.590476 0.873418
16 5FA 0.584906 0.873418
17 AQP 0.584906 0.873418
18 AD9 0.579439 0.851852
19 HQG 0.576577 0.8625
20 A3R 0.575221 0.9125
21 AT4 0.571429 0.841463
22 AN2 0.571429 0.8625
23 T5A 0.571429 0.939024
24 APR 0.570093 0.873418
25 AR6 0.570093 0.873418
26 M33 0.566038 0.8625
27 ACP 0.560748 0.851852
28 ATF 0.558559 0.841463
29 A22 0.557522 0.886076
30 U A 0.557252 0.9125
31 PRX 0.555556 0.829268
32 ACQ 0.554545 0.851852
33 ANP 0.554545 0.851852
34 ADX 0.551402 0.793103
35 AMP 0.54902 0.848101
36 A 0.54902 0.848101
37 A1R 0.547826 0.9125
38 A4P 0.543307 0.872093
39 A U 0.543307 0.924051
40 G3A 0.540984 0.855422
41 6YZ 0.539823 0.851852
42 CA0 0.537037 0.875
43 G5P 0.536585 0.855422
44 50T 0.53211 0.839506
45 KG4 0.53211 0.875
46 APU 0.53125 0.924051
47 3OD 0.529412 0.875
48 9X8 0.525424 0.831325
49 OAD 0.525424 0.875
50 25L 0.525 0.886076
51 AFH 0.524194 0.845238
52 GTA 0.52 0.825581
53 ABM 0.518868 0.82716
54 45A 0.518868 0.82716
55 BIS 0.516667 0.821429
56 SRA 0.514286 0.807229
57 ADP MG 0.513761 0.848101
58 APC 0.513514 0.864198
59 TAT 0.513274 0.841463
60 T99 0.513274 0.841463
61 8LH 0.513043 0.864198
62 25A 0.512821 0.873418
63 5SV 0.512821 0.811765
64 AP2 0.509259 0.864198
65 A12 0.509259 0.864198
66 8LE 0.508772 0.831325
67 5AL 0.508772 0.8625
68 4AD 0.508475 0.876543
69 4UV 0.508065 0.876543
70 DND 0.507812 0.8875
71 NXX 0.507812 0.8875
72 8LQ 0.504274 0.841463
73 1ZZ 0.504132 0.825581
74 TXE 0.503876 0.936709
75 SRP 0.5 0.8875
76 OZV 0.5 0.873418
77 4UU 0.5 0.876543
78 4TA 0.5 0.903614
79 6V0 0.496124 0.901235
80 NAI 0.496124 0.9125
81 WAQ 0.495868 0.865854
82 PR8 0.495868 0.879518
83 ADP PO3 0.495575 0.848101
84 ATP MG 0.495575 0.848101
85 AU1 0.495495 0.851852
86 FYA 0.491803 0.886076
87 00A 0.491667 0.843373
88 DLL 0.491667 0.886076
89 AHX 0.491667 0.878049
90 AP0 0.48855 0.878049
91 ADP BMA 0.487603 0.875
92 3UK 0.487603 0.875
93 8QN 0.487395 0.8625
94 OOB 0.487395 0.886076
95 DU DU DU DU BRU DA DU 0.486667 0.870588
96 4UW 0.484615 0.845238
97 NAX 0.484615 0.902439
98 TXD 0.484615 0.9125
99 DQV 0.484375 0.910256
100 PAJ 0.483333 0.845238
101 AMO 0.483333 0.8875
102 ADV 0.482456 0.864198
103 RBY 0.482456 0.864198
104 APC MG 0.482456 0.85
105 OMR 0.480916 0.837209
106 FA5 0.48 0.8875
107 YAP 0.48 0.876543
108 ME8 0.479675 0.804598
109 PTJ 0.479675 0.811765
110 MAP 0.478992 0.831325
111 Z5A 0.478873 0.872093
112 ALF ADP 0.478632 0.788235
113 ADP ALF 0.478632 0.788235
114 NAD 0.477941 0.886076
115 CPA 0.477273 0.925926
116 48N 0.476923 0.833333
117 UM3 0.475728 0.810127
118 U A A U 0.475524 0.9125
119 ADP VO4 0.474576 0.839506
120 VO4 ADP 0.474576 0.839506
121 GAP 0.474138 0.851852
122 CNA 0.474074 0.911392
123 SON 0.473214 0.864198
124 B5V 0.471545 0.864198
125 LAD 0.471545 0.86747
126 80F 0.471014 0.870588
127 A3D 0.471014 0.875
128 A U C C 0.469388 0.901235
129 B5Y 0.468254 0.853659
130 NB8 0.467742 0.855422
131 TXA 0.467742 0.864198
132 ADJ 0.466667 0.880952
133 DAL AMP 0.466667 0.839506
134 XAH 0.464567 0.847059
135 5AS 0.464286 0.75
136 LMS 0.462963 0.752809
137 FAS 0.460526 0.858824
138 FAD 0.460526 0.858824
139 9SN 0.460317 0.833333
140 TYM 0.458647 0.8875
141 PAX 0.458333 0.903614
142 A2R 0.458333 0.8625
143 LAQ 0.458015 0.825581
144 A G U 0.456954 0.869048
145 PAP 0.456897 0.860759
146 ATR 0.456897 0.848101
147 B5M 0.456693 0.853659
148 ITT 0.45614 0.825
149 GA7 0.453846 0.864198
150 MYR AMP 0.452381 0.804598
151 NA7 0.451613 0.8875
152 SFD 0.45098 0.744898
153 9ZA 0.45082 0.821429
154 9ZD 0.45082 0.821429
155 TYR AMP 0.449612 0.853659
156 F2R 0.449275 0.827586
157 IOT 0.448529 0.83908
158 2A5 0.448276 0.851852
159 A A 0.448 0.85
160 6FA 0.447368 0.848837
161 G A A A 0.446043 0.833333
162 RAB 0.445545 0.782051
163 XYA 0.445545 0.782051
164 ADN 0.445545 0.782051
165 ATP A A A 0.445312 0.860759
166 ATP A 0.445312 0.860759
167 NAQ 0.444444 0.833333
168 SFB 0.444444 0.822222
169 YLP 0.443609 0.848837
170 7D4 0.443478 0.839506
171 BT5 0.442857 0.83908
172 8X1 0.442623 0.744681
173 A G U U 0.442308 0.869048
174 FDA 0.440789 0.862069
175 NJP 0.438849 0.876543
176 DUT 0.438596 0.8125
177 U2G 0.437956 0.891566
178 NAE 0.4375 0.853659
179 FAY 0.436709 0.869048
180 P5A 0.436508 0.774194
181 COD 0.435714 0.840909
182 BTX 0.435714 0.848837
183 EAD 0.435374 0.902439
184 RFL 0.433962 0.829545
185 YLB 0.433824 0.848837
186 7D3 0.433628 0.839506
187 P1H 0.433333 0.880952
188 PPS 0.433333 0.772727
189 NDE 0.433333 0.864198
190 ARG AMP 0.431818 0.795455
191 ZID 0.431507 0.875
192 A3P 0.429825 0.848101
193 ODP 0.428571 0.890244
194 HFD 0.428571 0.831325
195 JSQ 0.428571 0.831325
196 DUD 0.428571 0.8125
197 AOC 0.428571 0.7625
198 NDC 0.427632 0.878049
199 3AM 0.427273 0.835443
200 NAJ PZO 0.426573 0.855422
201 0WD 0.425532 0.901235
202 A G 0.425532 0.821429
203 AMP NAD 0.425532 0.8625
204 DTP 0.425 0.8625
205 3AT 0.425 0.85
206 YLC 0.423358 0.869048
207 U A G G 0.422535 0.821429
208 JB6 0.421875 0.843373
209 6AD 0.421488 0.802326
210 AYB 0.421429 0.83908
211 62F 0.421384 0.869048
212 FNK 0.421384 0.853933
213 AR6 AR6 0.421053 0.85
214 YLY 0.42069 0.83908
215 GDC 0.419847 0.845238
216 GDD 0.419847 0.845238
217 GKE 0.419847 0.845238
218 AV2 0.418033 0.804878
219 TAD 0.41791 0.845238
220 A2P 0.417391 0.835443
221 AMP DBH 0.416667 0.829268
222 G5A 0.416667 0.769231
223 AF3 ADP 3PG 0.416058 0.781609
224 AVV 0.416 0.855422
225 DAT 0.415254 0.8625
226 AHZ 0.414815 0.764045
227 NDP 0.414286 0.901235
228 YLA 0.414286 0.870588
229 3PD UM3 0.414286 0.869048
230 MTA 0.412844 0.698795
231 NSS 0.412698 0.769231
232 DZD 0.412587 0.890244
233 N0B 0.412162 0.892857
234 LPA AMP 0.411765 0.804598
235 VMS 0.41129 0.73913
236 54H 0.41129 0.73913
237 FA9 0.410714 0.870588
238 7MD 0.410448 0.869048
239 5N5 0.409524 0.759494
240 ARU 0.409449 0.761364
241 NVA LMS 0.409449 0.726316
242 7D5 0.409091 0.814815
243 UMP 0.409091 0.8
244 DU 0.409091 0.8
245 FB0 0.409091 0.833333
246 TSB 0.408 0.766667
247 GDU 0.406504 0.835443
248 A5A 0.406504 0.755556
249 UFM 0.406504 0.835443
250 UPG 0.406504 0.835443
251 GUD 0.406504 0.835443
252 LEU LMS 0.40625 0.726316
253 9JJ 0.406061 0.825581
254 A4D 0.40566 0.759494
255 5CD 0.40566 0.725
256 NAJ PYZ 0.405405 0.816092
257 3DH 0.405405 0.698795
258 NPW 0.404255 0.891566
259 H1Q 0.403361 0.814815
260 SSA 0.403226 0.788889
261 NAP 0.402685 0.875
262 DSZ 0.401575 0.769231
263 NZQ 0.401408 0.890244
264 TXP 0.401408 0.901235
265 M24 0.401361 0.813953
266 52H 0.4 0.731183
267 TAP 0.4 0.821429
268 NO7 0.4 0.864198
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 85 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 69 residues
No: Leader PDB Ligand Sequence Similarity
1 2GMK AMP 40.3846
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