Receptor
PDB id Resolution Class Description Source Keywords
6PVW 1.6 Å EC: 3.1.27.5 RNASE A IN COMPLEX WITH CP4PA BOS TAURUS RNASE A NUCLEOTIDE POLY-PHOSPHATE METAPHOSPHATE 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
P0J B:201;
Invalid;
none;
submit data
319.92 H4 O12 P4 OP1(=...
OZV A:201;
Valid;
none;
Ki = 0.48 uM
649.126 C10 H16 N5 O18 P5 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: OZV; Similar ligands found: 313
No: Ligand ECFP6 Tc MDL keys Tc
1 OZV 1 1
2 A2D 0.707317 0.971831
3 ADP 0.702381 0.971831
4 AT4 0.694118 0.932432
5 BA3 0.690476 0.971831
6 ADX 0.686047 0.873418
7 AP5 0.682353 0.971831
8 B4P 0.682353 0.971831
9 ATP 0.678161 0.971831
10 HEJ 0.678161 0.971831
11 AN2 0.674419 0.958333
12 A 0.670732 0.943662
13 AMP 0.670732 0.943662
14 AQP 0.670455 0.971831
15 5FA 0.670455 0.971831
16 M33 0.666667 0.958333
17 CA0 0.666667 0.945205
18 ACP 0.659091 0.945205
19 KG4 0.659091 0.945205
20 50T 0.659091 0.931507
21 APR 0.651685 0.971831
22 PRX 0.651685 0.893333
23 AR6 0.651685 0.971831
24 T99 0.648352 0.932432
25 TAT 0.648352 0.932432
26 45A 0.647059 0.917808
27 ABM 0.647059 0.917808
28 AD9 0.644444 0.945205
29 AGS 0.644444 0.92
30 SAP 0.644444 0.92
31 ATF 0.634409 0.932432
32 A12 0.632184 0.932432
33 AP2 0.632184 0.932432
34 ANP 0.630435 0.945205
35 ACQ 0.630435 0.945205
36 6YZ 0.62766 0.945205
37 8LE 0.623656 0.894737
38 5AL 0.623656 0.931507
39 SRA 0.623529 0.893333
40 DLL 0.612245 0.931507
41 AU1 0.611111 0.945205
42 8LH 0.610526 0.906667
43 SRP 0.610526 0.906667
44 APC MG 0.608696 0.917808
45 OOB 0.608247 0.931507
46 HQG 0.604167 0.958333
47 ADP MG 0.6 0.943662
48 8LQ 0.597938 0.906667
49 A22 0.597938 0.958333
50 APC 0.597826 0.932432
51 FYA 0.594059 0.905405
52 5SV 0.591837 0.848101
53 25A 0.591837 0.944444
54 8QN 0.591837 0.931507
55 RBY 0.591398 0.932432
56 ADV 0.591398 0.932432
57 3UK 0.59 0.918919
58 ADQ 0.585859 0.945205
59 PAJ 0.585859 0.884615
60 4AD 0.585859 0.92
61 AMO 0.585859 0.932432
62 A1R 0.585859 0.907895
63 A3R 0.585859 0.907895
64 WAQ 0.584158 0.883117
65 LAD 0.584158 0.860759
66 SON 0.582418 0.906667
67 00A 0.58 0.883117
68 AHX 0.58 0.896104
69 1ZZ 0.578431 0.839506
70 BIS 0.578431 0.907895
71 ADP VO4 0.57732 0.931507
72 VO4 ADP 0.57732 0.931507
73 FA5 0.576923 0.906667
74 ATP MG 0.574468 0.943662
75 ADP PO3 0.574468 0.943662
76 OAD 0.574257 0.945205
77 9X8 0.574257 0.92
78 25L 0.572816 0.958333
79 B5V 0.568627 0.906667
80 PR8 0.568627 0.85
81 ADP ALF 0.56701 0.87013
82 ALF ADP 0.56701 0.87013
83 PTJ 0.563107 0.871795
84 ME8 0.563107 0.839506
85 3OD 0.563107 0.945205
86 TXA 0.563107 0.932432
87 NB8 0.563107 0.896104
88 GAP 0.5625 0.893333
89 YAP 0.561905 0.894737
90 B5Y 0.561905 0.894737
91 B5M 0.561905 0.894737
92 LMS 0.556818 0.82716
93 XAH 0.556604 0.839506
94 GA7 0.555556 0.906667
95 9SN 0.552381 0.871795
96 4UV 0.551402 0.894737
97 DQV 0.550459 0.958333
98 MAP 0.55 0.92
99 9ZD 0.544554 0.883117
100 9ZA 0.544554 0.883117
101 DAL AMP 0.534653 0.905405
102 G3A 0.53211 0.896104
103 AOC 0.527473 0.821918
104 AFH 0.527273 0.884615
105 G5P 0.527273 0.896104
106 4UU 0.527273 0.894737
107 AP0 0.526316 0.896104
108 PAP 0.525773 0.957747
109 RAB 0.52439 0.84507
110 ADN 0.52439 0.84507
111 XYA 0.52439 0.84507
112 GTA 0.522523 0.8625
113 TXD 0.522124 0.907895
114 NAI 0.522124 0.907895
115 UP5 0.522124 0.92
116 6V0 0.522124 0.896104
117 NAX 0.522124 0.873418
118 5AS 0.521277 0.77907
119 JB6 0.518868 0.883117
120 LAQ 0.517857 0.839506
121 OMR 0.517544 0.851852
122 TXE 0.517544 0.907895
123 TYM 0.517544 0.906667
124 2A5 0.515464 0.893333
125 ADP BMA 0.514286 0.918919
126 MYR AMP 0.514019 0.817073
127 YLP 0.513274 0.819277
128 48N 0.513274 0.896104
129 4TC 0.513043 0.896104
130 5N5 0.511905 0.819444
131 A3P 0.510638 0.943662
132 ATR 0.510204 0.943662
133 PPS 0.51 0.85
134 A A 0.509434 0.917808
135 4UW 0.508772 0.860759
136 DND 0.508772 0.932432
137 NXX 0.508772 0.932432
138 A4P 0.508621 0.821429
139 5CD 0.505882 0.805556
140 A4D 0.505882 0.819444
141 ADJ 0.5 0.851852
142 7D3 0.5 0.88
143 YLB 0.5 0.819277
144 YLC 0.5 0.839506
145 139 0.5 0.873418
146 T5A 0.5 0.841463
147 YLA 0.5 0.819277
148 UPA 0.5 0.907895
149 AYB 0.495798 0.809524
150 TAD 0.495575 0.884615
151 TYR AMP 0.495495 0.87013
152 ITT 0.494845 0.916667
153 7D4 0.494845 0.88
154 3AM 0.494505 0.902778
155 F2R 0.491667 0.841463
156 IOT 0.491525 0.809524
157 AHZ 0.491228 0.817073
158 ATP A 0.490909 0.930556
159 ATP A A A 0.490909 0.930556
160 GGZ 0.490385 0.848101
161 JSQ 0.49 0.92
162 HFD 0.49 0.92
163 G5A 0.49 0.77907
164 H1Q 0.489796 0.90411
165 7D5 0.488889 0.853333
166 EP4 0.488636 0.753247
167 3DH 0.483516 0.773333
168 CNA 0.483333 0.932432
169 M2T 0.483146 0.734177
170 DTA 0.483146 0.786667
171 AMP DBH 0.482143 0.893333
172 A2R 0.480769 0.958333
173 6AD 0.480392 0.884615
174 80F 0.479675 0.841463
175 A2P 0.479167 0.929577
176 MTA 0.477778 0.773333
177 TSB 0.47619 0.819277
178 A5A 0.475728 0.807229
179 BTX 0.47541 0.841463
180 COD 0.47541 0.811765
181 NAD 0.47541 0.931507
182 7MC 0.474576 0.841463
183 AR6 AR6 0.473684 0.917808
184 ARG AMP 0.473684 0.807229
185 7MD 0.473684 0.8625
186 LQJ 0.473214 0.944444
187 BT5 0.471545 0.831325
188 SSA 0.471154 0.8
189 N0B 0.46875 0.819277
190 M24 0.468254 0.85
191 YLY 0.468254 0.809524
192 6RE 0.468085 0.7375
193 A3D 0.467742 0.918919
194 52H 0.466667 0.77907
195 54H 0.466667 0.788235
196 VMS 0.466667 0.788235
197 AF3 ADP 3PG 0.466102 0.8375
198 NAE 0.464567 0.894737
199 9K8 0.463636 0.714286
200 DSH 0.463158 0.725
201 ARU 0.462963 0.8375
202 53H 0.462264 0.77907
203 8X1 0.462264 0.752809
204 5CA 0.462264 0.8
205 LPA AMP 0.461538 0.817073
206 NAQ 0.460938 0.871795
207 DZD 0.459677 0.884615
208 A3N 0.458333 0.786667
209 J7C 0.458333 0.746835
210 IMO 0.458333 0.902778
211 ZAS 0.457447 0.766234
212 ZID 0.457364 0.918919
213 V3L 0.456311 0.944444
214 KAA 0.454545 0.752809
215 P5A 0.454545 0.744444
216 NSS 0.453704 0.8
217 LSS 0.453704 0.761364
218 DSZ 0.453704 0.8
219 6MZ 0.453608 0.90411
220 S4M 0.453608 0.666667
221 GJV 0.453608 0.728395
222 NO7 0.45283 0.906667
223 OVE 0.452632 0.88
224 NDC 0.451852 0.871795
225 2AM 0.451613 0.916667
226 8PZ 0.451327 0.8
227 EAD 0.450382 0.873418
228 NVA LMS 0.449541 0.752809
229 MAO 0.44898 0.759036
230 AV2 0.447619 0.917808
231 YSA 0.447368 0.77907
232 FAD 0.446043 0.851852
233 FAS 0.446043 0.851852
234 SFG 0.445545 0.75
235 5X8 0.445545 0.763158
236 LEU LMS 0.445455 0.752809
237 NA7 0.445455 0.932432
238 AVV 0.444444 0.896104
239 3AT 0.442308 0.944444
240 6FA 0.442029 0.841463
241 GSU 0.441441 0.77907
242 NAJ PZO 0.440945 0.848101
243 4TA 0.44 0.807229
244 7C5 0.439655 0.794872
245 NAJ PYZ 0.438462 0.807229
246 RFL 0.4375 0.821429
247 P1H 0.437037 0.851852
248 A5D 0.436893 0.786667
249 71V 0.434343 0.883117
250 DAT 0.431373 0.88
251 FAY 0.430556 0.8625
252 5AD 0.430233 0.746479
253 SMM 0.429907 0.686047
254 WSA 0.429752 0.788235
255 G A A A 0.428571 0.848101
256 SAM 0.428571 0.690476
257 0WD 0.428571 0.896104
258 AMP NAD 0.428571 0.905405
259 DTP 0.428571 0.88
260 ACK 0.427083 0.887324
261 Y3J 0.426966 0.726027
262 NDE 0.426471 0.906667
263 RGT 0.426087 0.932432
264 A7D 0.425743 0.776316
265 FDA 0.42446 0.811765
266 SA8 0.423077 0.707317
267 B1U 0.422414 0.736264
268 MHZ 0.421569 0.697674
269 2SA 0.420561 0.906667
270 FB0 0.42029 0.784091
271 2BA 0.42 0.915493
272 CMP 0.42 0.901408
273 SAI 0.419048 0.734177
274 6C6 0.419048 0.857143
275 SAH 0.419048 0.74359
276 U A 0.418605 0.883117
277 A3G 0.418367 0.8
278 A G 0.417323 0.858974
279 S7M 0.416667 0.690476
280 J4G 0.415929 0.894737
281 6IA 0.415094 0.814815
282 0UM 0.414414 0.698795
283 U A G G 0.414062 0.858974
284 62F 0.413793 0.8625
285 KOY 0.413223 0.802632
286 7DD 0.411765 0.957747
287 AAT 0.411215 0.707317
288 EEM 0.411215 0.690476
289 Z5A 0.410448 0.77907
290 NJP 0.409449 0.92
291 7D7 0.409091 0.743243
292 4YB 0.408333 0.761364
293 PGS 0.407767 0.858974
294 PO4 PO4 A A A A PO4 0.40708 0.902778
295 A6D 0.40708 0.722892
296 A A A 0.40708 0.905405
297 V1N 0.40678 0.917808
298 649 0.406504 0.744444
299 SFD 0.405594 0.734043
300 NDP 0.404762 0.896104
301 NPW 0.404762 0.8625
302 D5M 0.40404 0.853333
303 NEC 0.40404 0.746667
304 DA 0.40404 0.853333
305 8Q2 0.403226 0.772727
306 AIR 0.402174 0.875
307 DDS 0.401869 0.853333
308 NZQ 0.401575 0.884615
309 TXP 0.401575 0.896104
310 A U 0.4 0.87013
311 7DT 0.4 0.957747
312 AAM 0.4 0.943662
313 APU 0.4 0.87013
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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