Receptor
PDB id Resolution Class Description Source Keywords
6XHC 1.6 Å EC: 3.1.27.5 STRUCTURE OF GLYCINYL 5'-O-ADENOSINE PHOSPHORAMIDATE BOS TAURUS RNASE A COMPLEX PHOSPHORAMIDATE STRUCTURE RNA BINDING PROT
Ref.: THE ENZYME-FREE RELEASE OF NUCLEOTIDES FROM PHOSPHO DEPENDS STRONGLY ON THE AMINO ACID. ANGEW.CHEM.INT.ED.ENGL. V. 59 20154 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
V2G A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
404.273 C12 H17 N6 O8 P 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: V2G; Similar ligands found: 366
No: Ligand ECFP6 Tc MDL keys Tc
1 V2G 1 1
2 AU1 0.728395 0.897436
3 A 0.714286 0.894737
4 AMP 0.714286 0.894737
5 KG4 0.698795 0.897436
6 ABM 0.6875 0.848101
7 A2D 0.6875 0.871795
8 45A 0.6875 0.848101
9 CA0 0.686747 0.897436
10 AMP MG 0.683544 0.857143
11 9ZD 0.677778 0.911392
12 9ZA 0.677778 0.911392
13 AT4 0.674699 0.8625
14 BA3 0.670732 0.871795
15 A12 0.670732 0.886076
16 AP2 0.670732 0.886076
17 B4P 0.662651 0.871795
18 AP5 0.662651 0.871795
19 ADP 0.662651 0.896104
20 SRA 0.6625 0.85
21 AN2 0.654762 0.909091
22 WAQ 0.648936 0.911392
23 QA7 0.648352 0.875
24 ANP 0.647727 0.897436
25 M33 0.647059 0.860759
26 ADX 0.647059 0.790698
27 TXA 0.642105 0.886076
28 8LE 0.640449 0.875
29 5AL 0.640449 0.909091
30 ATP 0.639535 0.896104
31 50T 0.639535 0.860759
32 HEJ 0.639535 0.896104
33 ACP 0.639535 0.897436
34 ADP MG 0.635294 0.87013
35 SON 0.635294 0.935065
36 ADP BEF 0.635294 0.87013
37 AMO 0.634409 0.910256
38 APR 0.632184 0.896104
39 5FA 0.632184 0.896104
40 AQP 0.632184 0.896104
41 AR6 0.632184 0.896104
42 PRX 0.632184 0.85
43 APC 0.632184 0.886076
44 MAP 0.630435 0.875
45 GAP 0.629214 0.922078
46 8LH 0.626374 0.910256
47 SRP 0.626374 0.935065
48 AD9 0.625 0.873418
49 RBY 0.625 0.886076
50 ADV 0.625 0.886076
51 AGS 0.625 0.851852
52 OOB 0.623656 0.909091
53 8LQ 0.612903 0.910256
54 ACQ 0.611111 0.897436
55 T99 0.611111 0.8625
56 TAT 0.611111 0.8625
57 DLL 0.610526 0.909091
58 AHX 0.610526 0.9
59 00A 0.610526 0.864198
60 ATP MG 0.606742 0.87013
61 APC MG 0.606742 0.848101
62 ADP PO3 0.606742 0.87013
63 8QN 0.606383 0.909091
64 4AD 0.6 0.898734
65 PAJ 0.6 0.865854
66 BEF ADP 0.6 0.848101
67 PR8 0.597938 0.925
68 ANP MG 0.597826 0.884615
69 ATF 0.597826 0.8625
70 DAL AMP 0.595745 0.884615
71 NB8 0.591837 0.9
72 1ZZ 0.591837 0.845238
73 6YZ 0.591398 0.897436
74 LMS 0.590361 0.790698
75 3UK 0.587629 0.897436
76 OAD 0.587629 0.897436
77 HQG 0.585106 0.909091
78 XAH 0.584158 0.890244
79 A1R 0.583333 0.911392
80 LAD 0.581633 0.9125
81 B5V 0.581633 0.886076
82 ALF ADP 0.580645 0.807229
83 VO4 ADP 0.580645 0.873418
84 A22 0.578947 0.884615
85 PTJ 0.575758 0.876543
86 3OD 0.575758 0.897436
87 ME8 0.575758 0.845238
88 B5M 0.574257 0.875
89 25A 0.572917 0.896104
90 5SV 0.572917 0.809524
91 OZV 0.572917 0.871795
92 9X8 0.571429 0.851852
93 MYR AMP 0.57 0.823529
94 5AS 0.568182 0.806818
95 7MD 0.567308 0.9375
96 ADQ 0.56701 0.897436
97 A3R 0.56701 0.911392
98 G5A 0.565217 0.827586
99 9SN 0.564356 0.853659
100 JNT 0.561224 0.922078
101 FA5 0.558824 0.910256
102 B5Y 0.558824 0.875
103 XYA 0.558442 0.779221
104 ADN 0.558442 0.779221
105 RAB 0.558442 0.779221
106 AOC 0.55814 0.759494
107 5CD 0.556962 0.74359
108 48N 0.551402 0.876543
109 DSZ 0.55102 0.806818
110 7MC 0.550459 0.914634
111 GSU 0.55 0.806818
112 4UV 0.548077 0.875
113 A5A 0.547368 0.793103
114 TAD 0.54717 0.843373
115 TSB 0.546392 0.784091
116 DND 0.546296 0.886076
117 FYA 0.544554 0.884615
118 BIS 0.544554 0.841463
119 5N5 0.544304 0.779221
120 LAQ 0.542056 0.845238
121 SSA 0.541667 0.806818
122 IOT 0.540541 0.903614
123 ADP BMA 0.54 0.873418
124 25L 0.539216 0.884615
125 ARG AMP 0.537736 0.879518
126 4UU 0.537736 0.875
127 A4D 0.5375 0.75641
128 YLP 0.537037 0.891566
129 54H 0.536082 0.775281
130 52H 0.536082 0.766667
131 VMS 0.536082 0.775281
132 7D5 0.535714 0.835443
133 NSS 0.535354 0.786517
134 A3N 0.534091 0.75
135 DQV 0.53271 0.884615
136 53H 0.530612 0.766667
137 8X1 0.530612 0.8
138 5CA 0.530612 0.806818
139 DTA 0.53012 0.728395
140 NVA LMS 0.53 0.76087
141 JB6 0.529412 0.864198
142 3DH 0.529412 0.716049
143 KMQ 0.528846 0.8625
144 6RE 0.528736 0.768293
145 OMR 0.527273 0.835294
146 AF3 ADP 3PG 0.527273 0.843373
147 MTA 0.52381 0.716049
148 LPA AMP 0.522936 0.823529
149 L3W 0.522523 0.8625
150 YLC 0.522523 0.890244
151 YLB 0.522523 0.891566
152 A3P 0.522222 0.894737
153 YLA 0.522124 0.891566
154 LSS 0.52 0.769231
155 J4G 0.519608 0.923077
156 P5A 0.519608 0.811111
157 AMP DBH 0.518868 0.82716
158 NAI 0.518182 0.841463
159 6V0 0.518182 0.853659
160 TXD 0.518182 0.8875
161 NAX 0.518182 0.833333
162 4UW 0.518182 0.843373
163 EP4 0.518072 0.719512
164 J7C 0.516854 0.777778
165 H1Q 0.516129 0.835443
166 5X8 0.516129 0.772152
167 SAI 0.515789 0.743902
168 ATP A A A 0.514286 0.858974
169 ATP A 0.514286 0.858974
170 G3A 0.514019 0.853659
171 AHZ 0.513761 0.802326
172 TYM 0.513514 0.910256
173 TXE 0.513514 0.8875
174 ALF ADP 3PG 0.513514 0.843373
175 F2R 0.513043 0.891566
176 M2T 0.511905 0.682353
177 LEU LMS 0.509804 0.758242
178 AFH 0.509259 0.865854
179 G5P 0.509259 0.853659
180 GA7 0.509259 0.8625
181 NAD IBO 0.508929 0.871795
182 NAD TDB 0.508929 0.871795
183 3AM 0.505747 0.881579
184 A2P 0.505495 0.881579
185 KAA 0.504854 0.8
186 GTA 0.504587 0.823529
187 AYB 0.504348 0.880952
188 BT5 0.504274 0.858824
189 DZD 0.504274 0.888889
190 NWW 0.5 0.701299
191 2SA 0.5 0.910256
192 SFG 0.5 0.759494
193 9K8 0.5 0.705263
194 NAD 0.495726 0.884615
195 COD 0.495726 0.83908
196 AP0 0.495575 0.809524
197 KOY 0.495495 0.7875
198 AR6 AR6 0.495413 0.871795
199 YSA 0.495327 0.786517
200 GJV 0.494505 0.759036
201 6MZ 0.494505 0.858974
202 7D3 0.494505 0.8375
203 CNA 0.491379 0.8625
204 UP5 0.491071 0.851852
205 4YB 0.490909 0.788889
206 PAP 0.489583 0.883117
207 SA8 0.489583 0.738095
208 7D4 0.489362 0.8375
209 A3G 0.488889 0.807692
210 A3D 0.487395 0.873418
211 80F 0.487395 0.825581
212 8PZ 0.485981 0.786517
213 SAH 0.484536 0.753086
214 O02 0.484536 0.876543
215 IMO 0.483516 0.857143
216 ZAS 0.483146 0.753086
217 AMP NAD 0.483051 0.884615
218 ADJ 0.482759 0.835294
219 4TC 0.482456 0.853659
220 UPA 0.482456 0.864198
221 B1U 0.481481 0.726316
222 S7M 0.48 0.701149
223 V3L 0.479592 0.921053
224 2A5 0.479167 0.897436
225 S4M 0.478261 0.696629
226 A4P 0.478261 0.827586
227 2AM 0.477273 0.87013
228 YLY 0.47541 0.880952
229 5AD 0.475 0.688312
230 PPS 0.474747 0.790698
231 EEM 0.474747 0.701149
232 ATR 0.474227 0.87013
233 MAO 0.473118 0.767442
234 NEC 0.472527 0.734177
235 DSH 0.472527 0.756098
236 NAE 0.471545 0.851852
237 NAJ PZO 0.471074 0.831325
238 BTX 0.470588 0.847059
239 139 0.470085 0.855422
240 T5A 0.470085 0.825581
241 NAQ 0.467742 0.831325
242 NAJ PYZ 0.467742 0.793103
243 QXG 0.466667 0.784091
244 QXP 0.466019 0.793103
245 C2R 0.465909 0.858974
246 SMM 0.465347 0.696629
247 V47 0.465347 0.769231
248 SAM 0.464646 0.701149
249 ZID 0.464 0.873418
250 N0B 0.464 0.891566
251 M24 0.463415 0.855422
252 A3S 0.463158 0.794872
253 0UM 0.461538 0.771084
254 OVE 0.461538 0.8375
255 WSA 0.46087 0.795455
256 649 0.46087 0.771739
257 A2R 0.460784 0.909091
258 NWQ 0.460674 0.683544
259 D4F 0.459677 0.823529
260 7C5 0.459459 0.802469
261 A5D 0.459184 0.728395
262 K3K 0.458716 0.743902
263 ITT 0.458333 0.846154
264 MHZ 0.458333 0.747126
265 K2R 0.457944 0.884615
266 N5O 0.456522 0.772152
267 6C6 0.454545 0.8625
268 A3T 0.453608 0.782051
269 K3E 0.45045 0.756098
270 6IA 0.45 0.843373
271 AMZ 0.449438 0.846154
272 R2V 0.448598 0.793103
273 A7D 0.447917 0.7625
274 NDC 0.44697 0.853659
275 N5A 0.446809 0.746835
276 4TA 0.446281 0.813953
277 6AD 0.445545 0.821429
278 EAD 0.445312 0.811765
279 SXZ 0.444444 0.741176
280 8Q2 0.444444 0.76087
281 62X 0.443396 0.715909
282 NDE 0.442748 0.886076
283 71V 0.442105 0.819277
284 K2W 0.441441 0.729412
285 HFD 0.44 0.851852
286 JSQ 0.44 0.851852
287 NA7 0.439252 0.910256
288 K15 0.439252 0.732558
289 PO4 PO4 A A A A PO4 0.439252 0.833333
290 2VA 0.438776 0.7625
291 GEK 0.438095 0.746988
292 FB0 0.43609 0.831461
293 NX8 0.435644 0.746988
294 Y3J 0.435294 0.670886
295 7D7 0.433735 0.708861
296 NO7 0.432692 0.886076
297 P1H 0.431818 0.793103
298 AAT 0.431373 0.738095
299 O05 0.431193 0.848837
300 NVA 2AD 0.43 0.746988
301 ARU 0.429907 0.8
302 38V 0.429688 0.845238
303 KYE 0.428571 0.785714
304 KY2 0.428571 0.761905
305 PGS 0.428571 0.797619
306 KB1 0.427273 0.729412
307 AV2 0.427184 0.825
308 Z5A 0.426357 0.786517
309 NJP 0.42623 0.875
310 KH3 0.426087 0.744186
311 KXW 0.426087 0.780488
312 A6D 0.425926 0.693182
313 SO8 0.425743 0.753086
314 VRT 0.425743 0.756098
315 D5M 0.425532 0.858974
316 DA 0.425532 0.858974
317 AVV 0.424528 0.853659
318 6K6 0.424528 0.907895
319 CUU 0.424242 0.896104
320 SLU 0.424 0.758242
321 NIA 0.423913 0.785714
322 K38 0.423423 0.743902
323 K2K 0.422018 0.72619
324 3AT 0.421569 0.896104
325 AAM 0.421053 0.894737
326 KYB 0.420561 0.761905
327 F0P 0.420168 0.780488
328 FNK 0.41844 0.811111
329 DZ4 0.417476 0.8625
330 K3H 0.415929 0.717647
331 LQJ 0.415929 0.871795
332 D3Y 0.415094 0.775
333 GGZ 0.415094 0.747126
334 ODP 0.414634 0.843373
335 KY5 0.414414 0.756098
336 TM1 0.414414 0.761364
337 OK8 0.413462 0.860759
338 N01 0.412698 0.860759
339 V1N 0.412281 0.871795
340 SCO 0.412214 0.872093
341 CMX 0.412214 0.872093
342 0WD 0.41129 0.853659
343 S8M 0.411215 0.746988
344 HZ2 0.410256 0.783133
345 DAT 0.41 0.860759
346 AIR 0.409091 0.831169
347 3NZ 0.409091 0.768293
348 FDA 0.408759 0.83908
349 DTP 0.407767 0.860759
350 OZP 0.40678 0.780488
351 U4Y 0.40678 0.746988
352 FAI 0.40625 0.846154
353 JLN 0.40625 0.846154
354 NWZ 0.405941 0.73494
355 6FA 0.405797 0.847059
356 K2H 0.40367 0.702381
357 N6P 0.40367 0.844156
358 EU9 0.403361 0.714286
359 HY8 0.403361 0.783133
360 0T1 0.403101 0.850575
361 8BR 0.402062 0.839506
362 SFD 0.4 0.760417
363 NMN AMP PO4 0.4 0.829268
364 FAS 0.4 0.857143
365 FAD 0.4 0.857143
366 101 0.4 0.858974
Similar Ligands (3D)
Ligand no: 1; Ligand: V2G; 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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