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 (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: OZV; Similar ligands found: 326
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 B4P 0.682353 0.971831
8 AP5 0.682353 0.971831
9 ATP 0.678161 0.971831
10 HEJ 0.678161 0.971831
11 AN2 0.674419 0.958333
12 AMP 0.670732 0.943662
13 A 0.670732 0.943662
14 5FA 0.670455 0.971831
15 AQP 0.670455 0.971831
16 M33 0.666667 0.958333
17 CA0 0.666667 0.945205
18 KG4 0.659091 0.945205
19 50T 0.659091 0.931507
20 ACP 0.659091 0.945205
21 AR6 0.651685 0.971831
22 PRX 0.651685 0.893333
23 APR 0.651685 0.971831
24 T99 0.648352 0.932432
25 TAT 0.648352 0.932432
26 ABM 0.647059 0.917808
27 45A 0.647059 0.917808
28 AGS 0.644444 0.92
29 AD9 0.644444 0.945205
30 AMP MG 0.642857 0.929577
31 ATF 0.634409 0.932432
32 A12 0.632184 0.932432
33 AP2 0.632184 0.932432
34 ACQ 0.630435 0.945205
35 ANP 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 QA7 0.614583 0.894737
41 DLL 0.612245 0.931507
42 AU1 0.611111 0.945205
43 8LH 0.610526 0.906667
44 SRP 0.610526 0.906667
45 APC MG 0.608696 0.917808
46 OOB 0.608247 0.931507
47 HQG 0.604167 0.958333
48 ADP MG 0.6 0.943662
49 ADP BEF 0.6 0.943662
50 A22 0.597938 0.958333
51 8LQ 0.597938 0.906667
52 APC 0.597826 0.932432
53 FYA 0.594059 0.905405
54 5SV 0.591837 0.848101
55 8QN 0.591837 0.931507
56 25A 0.591837 0.944444
57 ADV 0.591398 0.932432
58 RBY 0.591398 0.932432
59 3UK 0.59 0.918919
60 A3R 0.585859 0.907895
61 AMO 0.585859 0.932432
62 A1R 0.585859 0.907895
63 ADQ 0.585859 0.945205
64 4AD 0.585859 0.92
65 PAJ 0.585859 0.884615
66 WAQ 0.584158 0.883117
67 LAD 0.584158 0.860759
68 SON 0.582418 0.906667
69 JNT 0.58 0.945205
70 AHX 0.58 0.896104
71 00A 0.58 0.883117
72 BIS 0.578431 0.907895
73 1ZZ 0.578431 0.839506
74 FA5 0.576923 0.906667
75 ATP MG 0.574468 0.943662
76 ADP PO3 0.574468 0.943662
77 OAD 0.574257 0.945205
78 9X8 0.574257 0.92
79 V2G 0.572917 0.871795
80 25L 0.572816 0.958333
81 PR8 0.568627 0.85
82 B5V 0.568627 0.906667
83 BEF ADP 0.568421 0.917808
84 ALF ADP 0.56701 0.87013
85 NB8 0.563107 0.896104
86 PTJ 0.563107 0.871795
87 TXA 0.563107 0.932432
88 ME8 0.563107 0.839506
89 3OD 0.563107 0.945205
90 GAP 0.5625 0.893333
91 KMQ 0.561905 0.932432
92 B5Y 0.561905 0.894737
93 B5M 0.561905 0.894737
94 LMS 0.556818 0.82716
95 XAH 0.556604 0.839506
96 GA7 0.555556 0.906667
97 9SN 0.552381 0.871795
98 4UV 0.551402 0.894737
99 VO4 ADP 0.55102 0.918919
100 ANP MG 0.55102 0.931507
101 DQV 0.550459 0.958333
102 MAP 0.55 0.92
103 9ZA 0.544554 0.883117
104 9ZD 0.544554 0.883117
105 DAL AMP 0.534653 0.905405
106 G3A 0.53211 0.896104
107 AOC 0.527473 0.821918
108 AFH 0.527273 0.884615
109 G5P 0.527273 0.896104
110 4UU 0.527273 0.894737
111 AP0 0.526316 0.896104
112 PAP 0.525773 0.957747
113 ADN 0.52439 0.84507
114 RAB 0.52439 0.84507
115 XYA 0.52439 0.84507
116 GTA 0.522523 0.8625
117 NAI 0.522124 0.907895
118 NAX 0.522124 0.873418
119 TXD 0.522124 0.907895
120 UP5 0.522124 0.92
121 6V0 0.522124 0.896104
122 5AS 0.521277 0.77907
123 JB6 0.518868 0.883117
124 LAQ 0.517857 0.839506
125 TXE 0.517544 0.907895
126 OMR 0.517544 0.851852
127 TYM 0.517544 0.906667
128 2A5 0.515464 0.893333
129 ADP BMA 0.514286 0.918919
130 MYR AMP 0.514019 0.817073
131 YLP 0.513274 0.819277
132 48N 0.513274 0.896104
133 4TC 0.513043 0.896104
134 L3W 0.513043 0.932432
135 5N5 0.511905 0.819444
136 A3P 0.510638 0.943662
137 ATR 0.510204 0.943662
138 PPS 0.51 0.85
139 DND 0.508772 0.932432
140 4UW 0.508772 0.860759
141 A4P 0.508621 0.821429
142 A4D 0.505882 0.819444
143 5CD 0.505882 0.805556
144 T5A 0.5 0.841463
145 139 0.5 0.873418
146 7D3 0.5 0.88
147 ADJ 0.5 0.851852
148 YLB 0.5 0.819277
149 UPA 0.5 0.907895
150 YLA 0.5 0.819277
151 YLC 0.5 0.839506
152 AYB 0.495798 0.809524
153 TAD 0.495575 0.884615
154 7D4 0.494845 0.88
155 ITT 0.494845 0.916667
156 3AM 0.494505 0.902778
157 F2R 0.491667 0.841463
158 IOT 0.491525 0.809524
159 AHZ 0.491228 0.817073
160 ATP A A A 0.490909 0.930556
161 ATP A 0.490909 0.930556
162 GGZ 0.490385 0.848101
163 HFD 0.49 0.92
164 G5A 0.49 0.77907
165 JSQ 0.49 0.92
166 H1Q 0.489796 0.90411
167 7D5 0.488889 0.853333
168 EP4 0.488636 0.753247
169 3DH 0.483516 0.773333
170 CNA 0.483333 0.932432
171 M2T 0.483146 0.734177
172 DTA 0.483146 0.786667
173 AMP DBH 0.482143 0.893333
174 A2R 0.480769 0.958333
175 6AD 0.480392 0.884615
176 80F 0.479675 0.841463
177 A2P 0.479167 0.929577
178 MTA 0.477778 0.773333
179 TSB 0.47619 0.819277
180 A5A 0.475728 0.807229
181 COD 0.47541 0.811765
182 BTX 0.47541 0.841463
183 NAD 0.47541 0.931507
184 7MC 0.474576 0.841463
185 ARG AMP 0.473684 0.807229
186 AR6 AR6 0.473684 0.917808
187 7MD 0.473684 0.8625
188 LQJ 0.473214 0.944444
189 BT5 0.471545 0.831325
190 SSA 0.471154 0.8
191 N0B 0.46875 0.819277
192 YLY 0.468254 0.809524
193 M24 0.468254 0.85
194 6RE 0.468085 0.7375
195 A3D 0.467742 0.918919
196 VMS 0.466667 0.788235
197 54H 0.466667 0.788235
198 52H 0.466667 0.77907
199 AF3 ADP 3PG 0.466102 0.8375
200 ALF ADP 3PG 0.466102 0.8375
201 D4F 0.464567 0.839506
202 NAE 0.464567 0.894737
203 9K8 0.463636 0.714286
204 DSH 0.463158 0.725
205 ARU 0.462963 0.8375
206 5CA 0.462264 0.8
207 53H 0.462264 0.77907
208 8X1 0.462264 0.752809
209 LPA AMP 0.461538 0.817073
210 NAQ 0.460938 0.871795
211 O02 0.460784 0.896104
212 DZD 0.459677 0.884615
213 IMO 0.458333 0.902778
214 A3N 0.458333 0.786667
215 J7C 0.458333 0.746835
216 ZAS 0.457447 0.766234
217 ZID 0.457364 0.918919
218 V3L 0.456311 0.944444
219 P5A 0.454545 0.744444
220 KAA 0.454545 0.752809
221 DSZ 0.453704 0.8
222 LSS 0.453704 0.761364
223 NSS 0.453704 0.8
224 S4M 0.453608 0.666667
225 6MZ 0.453608 0.90411
226 GJV 0.453608 0.728395
227 NO7 0.45283 0.906667
228 OVE 0.452632 0.88
229 NDC 0.451852 0.871795
230 2AM 0.451613 0.916667
231 8PZ 0.451327 0.8
232 K3K 0.451327 0.802632
233 EAD 0.450382 0.873418
234 NAD IBO 0.45 0.917808
235 NAD TDB 0.45 0.917808
236 NVA LMS 0.449541 0.752809
237 MAO 0.44898 0.759036
238 AV2 0.447619 0.917808
239 YSA 0.447368 0.77907
240 FAD 0.446043 0.851852
241 FAS 0.446043 0.851852
242 5X8 0.445545 0.763158
243 CUU 0.445545 0.944444
244 SFG 0.445545 0.75
245 LEU LMS 0.445455 0.730337
246 NA7 0.445455 0.932432
247 AVV 0.444444 0.896104
248 K3E 0.443478 0.792208
249 3AT 0.442308 0.944444
250 6FA 0.442029 0.841463
251 GSU 0.441441 0.77907
252 NAJ PZO 0.440945 0.848101
253 4TA 0.44 0.807229
254 7C5 0.439655 0.794872
255 NAJ PYZ 0.438462 0.807229
256 NWW 0.438202 0.760563
257 RFL 0.4375 0.821429
258 P1H 0.437037 0.851852
259 A5D 0.436893 0.786667
260 38V 0.435115 0.8625
261 71V 0.434343 0.883117
262 DAT 0.431373 0.88
263 FAY 0.430556 0.8625
264 5AD 0.430233 0.746479
265 SMM 0.429907 0.686047
266 WSA 0.429752 0.788235
267 0WD 0.428571 0.896104
268 SAM 0.428571 0.690476
269 DTP 0.428571 0.88
270 AMP NAD 0.428571 0.905405
271 ACK 0.427083 0.887324
272 Y3J 0.426966 0.726027
273 NDE 0.426471 0.906667
274 RGT 0.426087 0.932432
275 A7D 0.425743 0.776316
276 FDA 0.42446 0.811765
277 SA8 0.423077 0.707317
278 B1U 0.422414 0.736264
279 MHZ 0.421569 0.697674
280 2SA 0.420561 0.906667
281 FB0 0.42029 0.784091
282 CMP 0.42 0.901408
283 2BA 0.42 0.915493
284 6C6 0.419048 0.857143
285 SAH 0.419048 0.74359
286 SAI 0.419048 0.734177
287 A3G 0.418367 0.8
288 QXP 0.418182 0.764706
289 V47 0.416667 0.783784
290 S7M 0.416667 0.690476
291 J4G 0.415929 0.894737
292 6IA 0.415094 0.814815
293 0UM 0.414414 0.698795
294 62F 0.413793 0.8625
295 KOY 0.413223 0.802632
296 7DD 0.411765 0.957747
297 AAT 0.411215 0.707317
298 EEM 0.411215 0.690476
299 K2H 0.410714 0.75641
300 Z5A 0.410448 0.77907
301 K2W 0.410256 0.740741
302 NJP 0.409449 0.92
303 7D7 0.409091 0.743243
304 4YB 0.408333 0.761364
305 PGS 0.407767 0.858974
306 PO4 PO4 A A A A PO4 0.40708 0.902778
307 A6D 0.40708 0.722892
308 V1N 0.40678 0.917808
309 649 0.406504 0.744444
310 SFD 0.405594 0.734043
311 K38 0.405172 0.779221
312 NPW 0.404762 0.8625
313 NDP 0.404762 0.896104
314 D5M 0.40404 0.853333
315 NEC 0.40404 0.746667
316 DA 0.40404 0.853333
317 K2K 0.403509 0.7375
318 8Q2 0.403226 0.772727
319 AIR 0.402174 0.875
320 DDS 0.401869 0.853333
321 NZQ 0.401575 0.884615
322 TXP 0.401575 0.896104
323 O05 0.4 0.821429
324 AAM 0.4 0.943662
325 7DT 0.4 0.957747
326 APU 0.4 0.87013
Similar Ligands (3D)
Ligand no: 1; Ligand: OZV; 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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