Receptor
PDB id Resolution Class Description Source Keywords
1afl 1.7 Å EC: 3.1.27.5 RIBONUCLEASE A IN COMPLEX WITH 5'-DIPHOSPHOADENOSINE 2'- PHOSPHATE AT 1.7 ANGSTROM RESOLUTION BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CRYSTAL STRUCTURES OF RIBONUCLEASE A COMPLEXES WITH 5'-DIPHOSPHOADENOSINE 3'-PHOSPHATE AND 5'-DIPHOSPHOADENOSINE 2'-PHOSPHATE AT 1.7 A RESOLUTION. BIOCHEMISTRY V. 36 5578 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATR A:125;
B:125;
 Valid;
Valid;
 none;
none;
 Ki = 520 nM
507.181 C10 H16 N5 O13 P3 c1nc(...
CIT A:999;
B:998;
 Valid;
Valid;
 none;
none;
 submit data
192.124 C6 H8 O7 C(C(=...
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: ATR; Similar ligands found: 361
No: Ligand ECFP6 Tc MDL keys Tc
1 ATR 1 1
2 A2P 0.835616 0.985294
3 A2R 0.825 0.957747
4 A22 0.814815 0.957747
5 NA7 0.776471 0.931507
6 2AM 0.739726 0.971014
7 25L 0.711111 0.957747
8 ADP 0.708861 0.971429
9 PAP 0.707317 0.985507
10 2A5 0.695122 0.917808
11 25A 0.681818 0.943662
12 7D3 0.6625 0.90411
13 ODP 0.644231 0.883117
14 HEJ 0.642857 0.971429
15 ATP 0.642857 0.971429
16 NPW 0.640777 0.860759
17 NDP 0.640777 0.894737
18 AQP 0.635294 0.971429
19 5FA 0.635294 0.971429
20 TXP 0.634615 0.894737
21 NZQ 0.634615 0.883117
22 A2D 0.62963 0.943662
23 NJP 0.628571 0.918919
24 AP5 0.626506 0.943662
25 B4P 0.626506 0.943662
26 OVE 0.625 0.930556
27 XNP 0.622642 0.871795
28 AN2 0.619048 0.957747
29 BA3 0.614458 0.943662
30 7D4 0.611765 0.90411
31 AGS 0.609195 0.918919
32 PO4 PO4 A A A A PO4 0.606383 0.928571
33 AT4 0.6 0.931507
34 AV2 0.6 0.943662
35 ACQ 0.595506 0.944444
36 V3L 0.595506 0.943662
37 A3P 0.595238 0.971014
38 6YZ 0.593407 0.944444
39 M33 0.593023 0.930556
40 NAP 0.59292 0.917808
41 TAP 0.587719 0.881579
42 HQG 0.586957 0.957747
43 CUU 0.586207 0.971429
44 ACP 0.586207 0.944444
45 NA0 0.582609 0.905405
46 7L1 0.582609 0.772727
47 3AM 0.580247 0.928571
48 AR6 0.579545 0.943662
49 APR 0.579545 0.943662
50 ANP 0.577778 0.944444
51 DG1 0.573913 0.894737
52 1DG 0.573913 0.894737
53 A 0.573171 0.942857
54 AMP 0.573171 0.942857
55 AD9 0.573034 0.944444
56 PPS 0.571429 0.871795
57 ADQ 0.568421 0.917808
58 DAT 0.568182 0.930556
59 T99 0.56044 0.931507
60 TAT 0.56044 0.931507
61 ADX 0.556818 0.848101
62 CA0 0.556818 0.917808
63 7D5 0.555556 0.876712
64 KG4 0.550562 0.917808
65 50T 0.550562 0.930556
66 ATF 0.548387 0.931507
67 AMP MG 0.547619 0.901408
68 CO7 0.544715 0.781609
69 APC 0.544444 0.931507
70 PRX 0.544444 0.866667
71 3AT 0.543478 0.971429
72 9X8 0.540816 0.893333
73 OAD 0.540816 0.917808
74 ENP 0.540816 0.891892
75 45A 0.534884 0.890411
76 ABM 0.534884 0.890411
77 BIS 0.53 0.906667
78 SRA 0.529412 0.891892
79 KMQ 0.529412 0.905405
80 ADP BEF 0.52809 0.915493
81 ADP MG 0.52809 0.915493
82 DTP 0.526882 0.930556
83 A12 0.522727 0.931507
84 AP2 0.522727 0.931507
85 5AL 0.521277 0.90411
86 8LE 0.521277 0.868421
87 A1R 0.520408 0.881579
88 A3R 0.520408 0.881579
89 JNT 0.515152 0.917808
90 00A 0.515152 0.857143
91 3OD 0.514852 0.917808
92 8LH 0.510417 0.88
93 SRP 0.510417 0.88
94 OZV 0.510204 0.943662
95 5SV 0.510204 0.822785
96 0WD 0.508772 0.894737
97 NMN AMP PO4 0.508772 0.844156
98 AU1 0.505495 0.944444
99 ATP MG 0.505376 0.915493
100 APC MG 0.505376 0.890411
101 ADP PO3 0.505376 0.915493
102 ADN 0.5 0.816901
103 8LQ 0.5 0.88
104 QA7 0.5 0.868421
105 RAB 0.5 0.816901
106 BEF ADP 0.5 0.890411
107 XYA 0.5 0.816901
108 AR6 AR6 0.495327 0.890411
109 ADP BMA 0.49505 0.891892
110 OOB 0.494949 0.90411
111 8QN 0.494949 0.90411
112 DDS 0.494737 0.902778
113 PAJ 0.49 0.858974
114 AMO 0.49 0.905405
115 4AD 0.49 0.893333
116 RBY 0.489362 0.905405
117 ADV 0.489362 0.905405
118 OMR 0.486486 0.82716
119 12D 0.486239 0.804878
120 PTJ 0.485437 0.87013
121 FYA 0.485437 0.878378
122 1ZZ 0.485437 0.814815
123 AHX 0.485149 0.87013
124 DLL 0.485149 0.90411
125 MAP 0.484848 0.918919
126 VO4 ADP 0.484536 0.917808
127 ALF ADP 0.484536 0.844156
128 ANP MG 0.484536 0.90411
129 N01 0.483051 0.878378
130 LMS 0.482759 0.802469
131 UPA 0.482143 0.881579
132 AFH 0.481481 0.858974
133 G5P 0.481481 0.894737
134 3UK 0.480392 0.891892
135 GAP 0.479167 0.866667
136 SON 0.478261 0.905405
137 NAI 0.477477 0.881579
138 128 0.477477 0.795181
139 UP5 0.477477 0.893333
140 NAX 0.477477 0.848101
141 9SN 0.47619 0.846154
142 B5V 0.475728 0.88
143 LAD 0.475728 0.835443
144 PR8 0.475728 0.825
145 WAQ 0.475728 0.857143
146 6AD 0.474227 0.883117
147 V2G 0.474227 0.87013
148 9BG 0.474138 0.894737
149 ITT 0.473118 0.915493
150 G3A 0.472222 0.894737
151 NB8 0.471154 0.87013
152 TXA 0.471154 0.905405
153 ME8 0.471154 0.814815
154 AP0 0.469027 0.87013
155 48N 0.468468 0.87013
156 7D7 0.468354 0.739726
157 LQJ 0.46729 0.916667
158 NDO 0.467213 0.891892
159 ETB 0.466667 0.809524
160 DCA 0.466667 0.8
161 APU 0.464912 0.893333
162 6V0 0.464286 0.87013
163 TXD 0.464286 0.881579
164 DQV 0.463636 0.930556
165 GTA 0.463636 0.860759
166 101 0.460674 0.876712
167 TXE 0.460177 0.881579
168 0T1 0.459016 0.8
169 COA 0.459016 0.8
170 B5Y 0.457944 0.868421
171 ATP A 0.457944 0.902778
172 B5M 0.457944 0.868421
173 ATP A A A 0.457944 0.902778
174 FA5 0.457944 0.88
175 139 0.456897 0.848101
176 4TC 0.45614 0.87013
177 D5M 0.455556 0.902778
178 DA 0.455556 0.902778
179 GGZ 0.455446 0.846154
180 DAL AMP 0.455446 0.878378
181 XAH 0.453704 0.814815
182 HFD 0.453608 0.918919
183 JSQ 0.453608 0.918919
184 A4P 0.452174 0.819277
185 5AS 0.451613 0.755814
186 DND 0.451327 0.905405
187 5N5 0.451219 0.791667
188 9ZA 0.45098 0.881579
189 9ZD 0.45098 0.881579
190 PUA 0.45082 0.883117
191 4UV 0.449541 0.868421
192 F2R 0.449153 0.839506
193 30N 0.448 0.731183
194 CAO 0.448 0.772727
195 COS 0.448 0.781609
196 AMX 0.448 0.809524
197 J4G 0.447619 0.893333
198 7DD 0.446809 0.957143
199 LAQ 0.446429 0.814815
200 NDP DTT 0.446154 0.795181
201 5CD 0.445783 0.777778
202 A4D 0.445783 0.791667
203 NO7 0.445545 0.905405
204 COD 0.445378 0.788235
205 T5A 0.444444 0.817073
206 ADJ 0.444444 0.82716
207 CMX 0.444444 0.8
208 SCO 0.444444 0.8
209 L3W 0.443478 0.905405
210 NVA 2AD 0.443299 0.734177
211 CA6 0.44186 0.708333
212 GA7 0.441441 0.88
213 4UU 0.441441 0.868421
214 FCX 0.440945 0.772727
215 ACO 0.440945 0.772727
216 FAM 0.440945 0.781609
217 HDV 0.44 0.917808
218 A3G 0.43956 0.773333
219 AOC 0.43956 0.794521
220 APX 0.439252 0.881579
221 MYR AMP 0.439252 0.792683
222 4UW 0.438596 0.835443
223 NMX 0.438462 0.73913
224 80F 0.438017 0.817073
225 HAX 0.4375 0.781609
226 2VA 0.4375 0.773333
227 TYM 0.434783 0.88
228 FYN 0.434109 0.8
229 3KK 0.434109 0.781609
230 NAD 0.433333 0.90411
231 KGJ 0.431818 0.731183
232 IVC 0.431818 0.790698
233 OXK 0.430769 0.781609
234 KGP 0.430769 0.708333
235 MCD 0.430769 0.781609
236 YZS 0.430769 0.708333
237 SOP 0.430769 0.781609
238 COK 0.430769 0.781609
239 EP4 0.430233 0.727273
240 DZ4 0.43 0.905405
241 JB6 0.429907 0.857143
242 YLP 0.429825 0.795181
243 38V 0.428571 0.860759
244 6RE 0.428571 0.734177
245 CNA 0.428571 0.905405
246 NWW 0.428571 0.757143
247 CMC 0.427481 0.781609
248 CO6 0.427481 0.781609
249 1VU 0.427481 0.772727
250 A3D 0.42623 0.891892
251 TM1 0.425926 0.792683
252 MC4 0.425373 0.73913
253 DTA 0.425287 0.76
254 M2T 0.425287 0.708861
255 J7V 0.425197 0.809524
256 G5A 0.424242 0.755814
257 SCD 0.424242 0.8
258 CAJ 0.424242 0.781609
259 2MC 0.424242 0.747253
260 SO8 0.424242 0.763158
261 VRT 0.424242 0.74359
262 H1Q 0.42268 0.876712
263 5X8 0.42268 0.736842
264 ALF ADP 3PG 0.422414 0.8125
265 KGA 0.422222 0.723404
266 CA8 0.422222 0.708333
267 KFV 0.422222 0.715789
268 3HC 0.421053 0.790698
269 BCO 0.421053 0.781609
270 A1S 0.421053 0.781609
271 MLC 0.421053 0.781609
272 1HE 0.421053 0.764045
273 MTA 0.420455 0.746667
274 KL2 0.420455 0.861111
275 5AD 0.419753 0.742857
276 AS 0.419355 0.855263
277 YLB 0.418803 0.795181
278 YLC 0.418803 0.814815
279 MCA 0.41791 0.772727
280 CAA 0.41791 0.790698
281 SO5 0.41791 0.701031
282 COO 0.41791 0.781609
283 YE1 0.41791 0.790698
284 LCV 0.41791 0.701031
285 ACK 0.417582 0.885714
286 ZAS 0.417582 0.74026
287 QQY 0.417582 0.837838
288 103 0.417582 0.835616
289 Y3J 0.416667 0.722222
290 A3S 0.416667 0.783784
291 7MD 0.415929 0.8375
292 ARG AMP 0.415929 0.804878
293 2CP 0.414815 0.772727
294 YXR 0.414815 0.708333
295 YXS 0.414815 0.708333
296 SCA 0.414815 0.781609
297 ZDA 0.414141 0.863014
298 TSB 0.413462 0.795181
299 NAE 0.412698 0.868421
300 1GZ 0.411765 0.772727
301 IOT 0.411765 0.807229
302 BYC 0.411765 0.781609
303 COW 0.411765 0.772727
304 3CP 0.411765 0.781609
305 A5A 0.411765 0.783133
306 IRC 0.411765 0.790698
307 HGG 0.411765 0.781609
308 2KQ 0.411765 0.764045
309 3AD 0.411765 0.802817
310 COF 0.411765 0.764045
311 3DH 0.411111 0.746667
312 EAD 0.410853 0.848101
313 AMP DBH 0.410714 0.866667
314 1CZ 0.410072 0.772727
315 CO8 0.410072 0.764045
316 S0N 0.410072 0.781609
317 BTX 0.409836 0.817073
318 NAQ 0.409449 0.846154
319 4CA 0.408759 0.772727
320 BCA 0.408759 0.772727
321 FAQ 0.408759 0.781609
322 AHZ 0.408696 0.792683
323 NEC 0.408602 0.743243
324 NHM 0.408451 0.764045
325 NHW 0.408451 0.764045
326 UOQ 0.408451 0.764045
327 YLA 0.408333 0.795181
328 A3T 0.408163 0.794521
329 SSA 0.407767 0.776471
330 ST9 0.407143 0.764045
331 62F 0.407143 0.8375
332 5F9 0.407143 0.764045
333 UCC 0.407143 0.764045
334 DCC 0.407143 0.764045
335 MFK 0.407143 0.764045
336 MYA 0.407143 0.764045
337 QQX 0.406593 0.826667
338 ZID 0.40625 0.891892
339 GRA 0.405797 0.781609
340 HXC 0.405797 0.764045
341 LPA AMP 0.405172 0.792683
342 AYB 0.404959 0.785714
343 J7C 0.404255 0.74359
344 0ET 0.404255 0.764045
345 7DT 0.40404 0.957143
346 VMS 0.403846 0.764706
347 52H 0.403846 0.755814
348 54H 0.403846 0.764706
349 ANZ 0.403509 0.820513
350 PAX 0.403101 0.82716
351 TGC 0.402878 0.772727
352 B1U 0.401786 0.714286
353 CCQ 0.4 0.747253
354 TAD 0.4 0.858974
355 G3D 0.4 0.905405
356 2NE 0.4 0.764045
357 5CA 0.4 0.776471
358 S4M 0.4 0.643678
359 8X1 0.4 0.730337
360 53H 0.4 0.755814
361 CIC 0.4 0.781609
Ligand no: 2; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Ligands (3D)
Ligand no: 1; Ligand: ATR; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GDP 0.8755
Ligand no: 2; Ligand: CIT; Similar ligands found: 1030
No: Ligand Similarity coefficient
1 FLC 1.0000
2 PEP 1.0000
3 NTC 0.9827
4 7A2 0.9729
5 7A3 0.9710
6 TRC 0.9632
7 ICT 0.9604
8 NCD 0.9568
9 1AL 0.9557
10 TRA 0.9465
11 GLY LEU 0.9431
12 ENL 0.9421
13 P4B 0.9413
14 EKN 0.9407
15 AN0 0.9405
16 4TE 0.9372
17 NFQ 0.9367
18 GLY ASP 0.9365
19 ATH 0.9359
20 3S4 0.9303
21 0FA 0.9302
22 HCT 0.9298
23 GBN 0.9289
24 NLQ 0.9287
25 NQM 0.9280
26 XQB 0.9278
27 CAX 0.9276
28 NLG 0.9268
29 JKZ 0.9254
30 AKH 0.9252
31 MIC 0.9251
32 AOR 0.9244
33 5UK 0.9243
34 AVI 0.9237
35 5XB 0.9229
36 IPM 0.9222
37 5XR 0.9215
38 CCB 0.9212
39 PHT 0.9208
40 GJS 0.9195
41 IJZ 0.9193
42 Q6T 0.9189
43 AVJ 0.9180
44 VPR 0.9176
45 C5A 0.9170
46 OTD 0.9170
47 GM7 0.9167
48 87L 0.9166
49 2CG 0.9164
50 KAI 0.9162
51 449 0.9160
52 DII 0.9156
53 FOT 0.9156
54 256 0.9150
55 FBG 0.9150
56 J01 0.9145
57 HMQ 0.9139
58 NIG 0.9130
59 TEN 0.9130
60 NTM 0.9127
61 R9S 0.9118
62 H6B 0.9116
63 CDV 0.9112
64 PRZ 0.9112
65 8WQ 0.9110
66 2AL 0.9109
67 40F 0.9109
68 42C 0.9107
69 791 0.9106
70 HLD 0.9105
71 0GZ 0.9105
72 HJP 0.9105
73 AME 0.9104
74 0F9 0.9103
75 OIA 0.9103
76 V6F 0.9103
77 ONR 0.9101
78 ALA LEU 0.9100
79 OMD 0.9100
80 HQ9 0.9100
81 DMO 0.9096
82 CDT 0.9095
83 KTA 0.9095
84 BRR 0.9092
85 GLY PRO 0.9092
86 6CS 0.9084
87 5WY 0.9084
88 R1P 0.9081
89 MEV 0.9081
90 DG2 0.9079
91 KDF 0.9079
92 PDC 0.9079
93 M44 0.9078
94 GZ8 0.9077
95 41K 0.9076
96 ORO 0.9068
97 AIN 0.9067
98 FX1 0.9066
99 8G0 0.9065
100 SIF 0.9064
101 T2D 0.9062
102 6LW 0.9060
103 AVO 0.9059
104 5HY 0.9059
105 HJ7 0.9058
106 FF3 0.9058
107 QAS 0.9057
108 IPZ 0.9056
109 PD2 0.9055
110 PCV 0.9054
111 DOR 0.9054
112 34D 0.9052
113 4ME 0.9049
114 YQA 0.9047
115 L14 0.9045
116 G88 0.9045
117 9SE 0.9045
118 FRU 0.9044
119 GTQ 0.9042
120 C2U 0.9041
121 OAF 0.9040
122 6XI 0.9040
123 DNC 0.9040
124 DNF 0.9040
125 6NI 0.9034
126 4WK 0.9033
127 D1X 0.9032
128 0OC 0.9028
129 SF6 0.9027
130 ZZ8 0.9027
131 QAT 0.9026
132 QIC 0.9023
133 091 0.9023
134 8VN 0.9020
135 FA6 0.9020
136 5CU 0.9017
137 2ZM 0.9017
138 97T 0.9016
139 9PY 0.9016
140 1U1 0.9014
141 6NT 0.9014
142 J9Q 0.9013
143 TSA 0.9012
144 AH8 0.9008
145 ET2 0.9008
146 ANN 0.9008
147 5OB 0.9006
148 KJM 0.9005
149 GCU 0.9005
150 0HO 0.9004
151 1F1 0.9004
152 6R8 0.9002
153 2PG 0.9001
154 S2T 0.9000
155 KLW 0.8998
156 2FT 0.8997
157 BZ3 0.8997
158 N8P 0.8996
159 SHA 0.8995
160 GV9 0.8994
161 40H 0.8992
162 N7P 0.8991
163 GAF 0.8990
164 FUD 0.8989
165 5NU 0.8988
166 3NY 0.8988
167 G01 0.8987
168 LSA 0.8987
169 K2P 0.8986
170 FA3 0.8986
171 54G 0.8986
172 2HU 0.8984
173 2ZQ 0.8984
174 3AL 0.8984
175 FA1 0.8984
176 5NI 0.8983
177 KJU 0.8980
178 XX3 0.8979
179 DOB 0.8978
180 QPR 0.8978
181 GLY MET 0.8978
182 PRE 0.8977
183 4M0 0.8976
184 RAT 0.8975
185 0HN 0.8975
186 Z5P 0.8971
187 0GY 0.8971
188 FA0 0.8971
189 PNZ 0.8971
190 3A9 0.8970
191 F12 0.8970
192 OW7 0.8969
193 5FN 0.8968
194 ICO 0.8968
195 KDG 0.8966
196 DIG 0.8965
197 E5X 0.8965
198 JAW 0.8964
199 RD4 0.8964
200 GNL 0.8963
201 NSG 0.8963
202 OXC 0.8963
203 3MF 0.8962
204 60Q 0.8962
205 AQK 0.8960
206 BHA 0.8960
207 SSC 0.8959
208 ADA 0.8959
209 OEM 0.8958
210 XSP 0.8957
211 3MB 0.8957
212 7WR 0.8956
213 ES2 0.8955
214 NVU 0.8954
215 KBB 0.8954
216 QM1 0.8953
217 APG 0.8953
218 2LY 0.8952
219 5RG 0.8950
220 BGT 0.8950
221 XYH 0.8949
222 1PL 0.8947
223 8GK 0.8947
224 OVM 0.8946
225 B2Y 0.8946
226 ABI 0.8944
227 CLW 0.8944
228 URC 0.8944
229 5ZZ 0.8942
230 SF9 0.8941
231 2MN 0.8937
232 7UC 0.8936
233 9TZ 0.8936
234 AMH 0.8935
235 210 0.8935
236 TSR 0.8935
237 4P5 0.8934
238 ODO 0.8934
239 GCV 0.8933
240 VGD 0.8932
241 15N 0.8931
242 SOE 0.8928
243 2BX 0.8927
244 3S6 0.8926
245 GIO 0.8926
246 15L 0.8925
247 NDG 0.8923
248 VNL 0.8923
249 IPB 0.8923
250 PSV 0.8921
251 SDD 0.8919
252 1CO 0.8919
253 G5V 0.8919
254 8WO 0.8919
255 GTR 0.8918
256 OW4 0.8918
257 LFC 0.8917
258 N2I 0.8917
259 QBK 0.8917
260 N2Z 0.8916
261 52C 0.8916
262 5M0 0.8916
263 45L 0.8916
264 CWJ 0.8915
265 7ZE 0.8915
266 JB8 0.8914
267 SKM 0.8913
268 I3A 0.8913
269 NCT 0.8912
270 DQA 0.8910
271 SR4 0.8909
272 SC2 0.8908
273 HA7 0.8908
274 5XC 0.8907
275 LFR 0.8907
276 MMA 0.8907
277 HNQ 0.8907
278 069 0.8905
279 X1E 0.8904
280 7NI 0.8904
281 9FL 0.8904
282 RNS 0.8904
283 TIU 0.8904
284 5MK 0.8903
285 II6 0.8902
286 X09 0.8900
287 NGO 0.8899
288 5GU 0.8897
289 M75 0.8897
290 H62 0.8896
291 2M5 0.8896
292 9KH 0.8896
293 REL 0.8895
294 JDN 0.8894
295 GZQ 0.8894
296 LAO 0.8893
297 E7Z 0.8892
298 4CS 0.8892
299 GTC 0.8891
300 5RN 0.8891
301 AI2 0.8890
302 6JN 0.8889
303 GTL 0.8889
304 IAC 0.8889
305 LT8 0.8888
306 9CA 0.8888
307 AMG 0.8888
308 SOL 0.8887
309 A13 0.8887
310 IFL 0.8887
311 BDF 0.8885
312 1P8 0.8885
313 DHK 0.8885
314 HDH 0.8885
315 PFL 0.8884
316 ALA PRO 0.8882
317 AS3 0.8881
318 36R 0.8879
319 AOS 0.8879
320 B0D 0.8879
321 KMH 0.8878
322 QUS 0.8876
323 AFR 0.8875
324 H42 0.8875
325 PPK 0.8875
326 VXX 0.8875
327 PEZ 0.8874
328 M5N 0.8872
329 OHP 0.8870
330 MS9 0.8869
331 GIV 0.8869
332 03V 0.8868
333 A29 0.8868
334 JJQ 0.8867
335 MNM 0.8867
336 4FS 0.8866
337 NGT 0.8866
338 F31 0.8866
339 KDO 0.8866
340 DEW 0.8865
341 0JD 0.8864
342 4VY 0.8863
343 94W 0.8862
344 92K 0.8862
345 DBX 0.8862
346 8XQ 0.8860
347 1IT 0.8859
348 EV0 0.8859
349 3PO 0.8858
350 F9Y 0.8857
351 M74 0.8857
352 TAG 0.8855
353 4WL 0.8855
354 DCO 0.8855
355 GCO 0.8855
356 7VS 0.8855
357 M1E 0.8855
358 GC2 0.8854
359 COU 0.8854
360 NGW 0.8854
361 92P 0.8854
362 JA8 0.8854
363 C2Y 0.8853
364 6TZ 0.8853
365 BDP 0.8853
366 HA5 0.8852
367 G4D 0.8852
368 B09 0.8852
369 J9T 0.8851
370 GLA 0.8851
371 ES5 0.8850
372 5JQ 0.8850
373 GIF 0.8850
374 RNT 0.8849
375 CS2 0.8849
376 5DI 0.8848
377 SYV 0.8848
378 8VE 0.8848
379 8GL 0.8847
380 KDV 0.8847
381 293 0.8847
382 BZ2 0.8847
383 KFH 0.8847
384 8TX 0.8846
385 HDL 0.8845
386 L5V 0.8845
387 SXS 0.8845
388 IOS 0.8845
389 8ZE 0.8845
390 0CG 0.8844
391 JR2 0.8844
392 MQB 0.8843
393 787 0.8843
394 2FY 0.8842
395 1U5 0.8842
396 FBB 0.8841
397 HIS 0.8840
398 NAG 0.8839
399 NZ3 0.8839
400 JB5 0.8839
401 ASC 0.8838
402 2HG 0.8838
403 2AQ 0.8837
404 2C0 0.8837
405 CBF 0.8837
406 BK9 0.8836
407 FIX 0.8834
408 3IT 0.8834
409 GLO 0.8833
410 3R9 0.8833
411 M0W 0.8833
412 1N4 0.8832
413 TSS 0.8830
414 M4E 0.8830
415 PSJ 0.8829
416 GAL 0.8829
417 3CR 0.8828
418 4ZA 0.8828
419 27L 0.8828
420 M0Q 0.8828
421 YIO 0.8828
422 MR1 0.8827
423 6FZ 0.8827
424 1X7 0.8827
425 FOC 0.8826
426 MUC 0.8826
427 3BU 0.8825
428 BCU 0.8825
429 DZA 0.8825
430 AUD 0.8825
431 GOG 0.8825
432 2TQ 0.8825
433 61O 0.8823
434 LMR 0.8823
435 2ED 0.8822
436 DIU 0.8822
437 51R 0.8822
438 DBH 0.8821
439 8S0 0.8821
440 4HC 0.8821
441 M72 0.8820
442 2C2 0.8820
443 MLE 0.8819
444 5VM 0.8819
445 SX1 0.8819
446 MTL 0.8818
447 OCH 0.8818
448 43W 0.8818
449 KYA 0.8818
450 FHN 0.8817
451 EUG 0.8817
452 4Z4 0.8817
453 F0J 0.8817
454 O2A 0.8816
455 3HA 0.8816
456 TVP 0.8816
457 TLA 0.8816
458 39U 0.8816
459 3F0 0.8815
460 M2K 0.8814
461 56D 0.8814
462 GYE 0.8813
463 SOR 0.8813
464 152 0.8813
465 3HG 0.8812
466 S76 0.8812
467 FE DB1 0.8811
468 XXP 0.8810
469 4P0 0.8810
470 BMA 0.8810
471 EYK 0.8809
472 GCB 0.8809
473 XAZ 0.8808
474 GDE 0.8807
475 4A5 0.8806
476 HBU 0.8805
477 2GS 0.8805
478 GLR 0.8804
479 M5E 0.8804
480 FBV 0.8804
481 BTY 0.8803
482 GUN 0.8803
483 TPO 0.8803
484 DHS 0.8802
485 1SV 0.8802
486 CSN 0.8802
487 FUC 0.8802
488 ESP 0.8802
489 4BZ 0.8802
490 2F6 0.8801
491 CKX 0.8801
492 GLG 0.8800
493 3MA 0.8800
494 XAN 0.8800
495 3OC 0.8800
496 463 0.8799
497 AGK 0.8799
498 GLF 0.8799
499 K2T 0.8798
500 4HM 0.8798
501 LPK 0.8797
502 0RN 0.8797
503 4NG 0.8797
504 R20 0.8796
505 3MG 0.8796
506 SN4 0.8795
507 BCK 0.8795
508 4NB 0.8795
509 EVA 0.8795
510 EA1 0.8793
511 9RH 0.8792
512 MVL 0.8792
513 V55 0.8792
514 MBG 0.8792
515 AHD 0.8791
516 IUP 0.8791
517 9DG 0.8791
518 4NM 0.8790
519 0LH 0.8790
520 G1P 0.8790
521 7Y3 0.8790
522 J9W 0.8789
523 ISD 0.8788
524 R8S 0.8788
525 7D2 0.8788
526 NHC 0.8788
527 2O6 0.8788
528 3R6 0.8787
529 7N0 0.8785
530 6DP 0.8785
531 263 0.8785
532 2A7 0.8785
533 UEG 0.8785
534 OVV 0.8785
535 42A 0.8784
536 YSO 0.8784
537 ZXD 0.8783
538 SVD 0.8783
539 717 0.8783
540 12T 0.8783
541 X1R 0.8782
542 MNP 0.8782
543 5RP 0.8782
544 AKG 0.8782
545 SYG 0.8782
546 23J 0.8780
547 8EW 0.8779
548 NZ2 0.8779
549 RNO 0.8779
550 HXX 0.8777
551 4JT 0.8776
552 RSM 0.8776
553 329 0.8776
554 BZX 0.8775
555 RB0 0.8774
556 1FF 0.8774
557 GLC 0.8774
558 ROR 0.8774
559 75K 0.8773
560 Q71 0.8773
561 SJ5 0.8773
562 149 0.8772
563 3HP 0.8772
564 BPN 0.8772
565 AQQ 0.8771
566 FYU 0.8771
567 IT9 0.8770
568 BGC 0.8770
569 4PN 0.8769
570 HHT 0.8768
571 UNC 0.8768
572 DZX 0.8767
573 2LP 0.8767
574 6KT 0.8765
575 NDH 0.8765
576 XIY 0.8765
577 7MU 0.8765
578 MAJ 0.8764
579 P22 0.8764
580 LQ2 0.8764
581 B55 0.8763
582 KIB 0.8762
583 LNR 0.8761
584 PHY 0.8761
585 DGJ 0.8760
586 212 0.8760
587 HQJ 0.8759
588 FPK 0.8759
589 FH2 0.8759
590 ESX 0.8759
591 UAN 0.8759
592 8H8 0.8758
593 EJZ 0.8757
594 FCR 0.8757
595 GZL 0.8756
596 ICB 0.8756
597 4AA 0.8756
598 K2Q 0.8756
599 2FG 0.8755
600 GAB 0.8755
601 SRT 0.8755
602 CTL 0.8754
603 GVM 0.8754
604 Q7A 0.8754
605 LDP 0.8753
606 G3F 0.8753
607 VOH 0.8753
608 XUL 0.8752
609 F4E 0.8752
610 7HQ 0.8752
611 LZM 0.8751
612 M3S 0.8751
613 0UT 0.8751
614 IFG 0.8750
615 BFM 0.8749
616 4JQ 0.8748
617 2K4 0.8747
618 AW5 0.8747
619 X1P 0.8747
620 3HB 0.8747
621 2H5 0.8746
622 3C7 0.8746
623 M3Q 0.8746
624 ISZ 0.8746
625 DA4 0.8745
626 RES 0.8745
627 ASO 0.8744
628 6VD 0.8744
629 DHB 0.8743
630 ZON 0.8743
631 SNO 0.8743
632 GXL 0.8742
633 PQK 0.8742
634 428 0.8742
635 SLC 0.8742
636 FXH 0.8742
637 5RO 0.8742
638 3V4 0.8741
639 1Z8 0.8741
640 PHB 0.8740
641 ZOL 0.8739
642 NOY 0.8739
643 TAR 0.8739
644 ASF 0.8739
645 9MG 0.8739
646 20J 0.8738
647 AZ8 0.8736
648 DAL DAL 0.8736
649 OVP 0.8736
650 G8M 0.8736
651 259 0.8735
652 5MI 0.8735
653 6RQ 0.8734
654 QDK 0.8734
655 X8Z 0.8734
656 BZS 0.8734
657 RIB 0.8734
658 FP1 0.8733
659 2AS 0.8733
660 MFU 0.8732
661 NID 0.8730
662 SER PRO 0.8729
663 3PG 0.8729
664 SRO 0.8729
665 5H1 0.8728
666 1P3 0.8728
667 LGC 0.8728
668 XEN 0.8728
669 8EZ 0.8728
670 67Y 0.8727
671 EMZ 0.8727
672 4I8 0.8726
673 1M2 0.8726
674 INE 0.8726
675 3NT 0.8726
676 4RW 0.8725
677 14O 0.8725
678 GTZ 0.8725
679 HLZ 0.8724
680 DIE 0.8724
681 OA3 0.8724
682 289 0.8723
683 PAB 0.8723
684 ARW 0.8722
685 FBU 0.8722
686 PZI 0.8721
687 4TU 0.8721
688 PEY 0.8720
689 512 0.8720
690 JV4 0.8720
691 A2G 0.8720
692 MAN 0.8720
693 3AB 0.8720
694 GLU 0.8720
695 AC6 0.8719
696 XH2 0.8719
697 5QY 0.8719
698 9FE 0.8718
699 PA1 0.8718
700 DBJ 0.8718
701 DHI 0.8718
702 J6W 0.8718
703 6AI 0.8717
704 DHY 0.8717
705 K97 0.8717
706 BPS 0.8716
707 46P 0.8714
708 GLY CYS 0.8713
709 4FA 0.8713
710 1WC 0.8712
711 7Q1 0.8712
712 2BG 0.8712
713 8XL 0.8711
714 XXG 0.8711
715 4AV 0.8711
716 APZ 0.8711
717 SLS 0.8710
718 2DR 0.8710
719 HYA 0.8710
720 C4L 0.8709
721 INO 0.8709
722 F34 0.8708
723 QY9 0.8707
724 A9O 0.8707
725 NOJ 0.8707
726 1GN 0.8706
727 DMJ 0.8705
728 9ZE 0.8705
729 2CZ 0.8705
730 NGA 0.8705
731 AHB 0.8704
732 DPF 0.8704
733 M1Q 0.8703
734 MJ2 0.8703
735 X6X 0.8702
736 MHK 0.8702
737 IV2 0.8701
738 HMU 0.8700
739 5LA 0.8699
740 SR1 0.8699
741 I1E 0.8699
742 GOX 0.8697
743 QMS 0.8697
744 OTR 0.8697
745 BHO 0.8697
746 NPO 0.8697
747 261 0.8697
748 MQN 0.8696
749 AJ2 0.8695
750 PE0 0.8695
751 NMJ 0.8695
752 HMH 0.8695
753 TT4 0.8694
754 JRB 0.8693
755 FEH 0.8693
756 IP0 0.8693
757 GT0 0.8692
758 E1P 0.8691
759 RM1 0.8691
760 0W8 0.8691
761 GJP 0.8690
762 Q88 0.8690
763 RIM 0.8689
764 XQK 0.8689
765 4ZC 0.8689
766 CN0 0.8689
767 5WX 0.8689
768 7FF 0.8689
769 H7Y 0.8688
770 M4S 0.8686
771 NLA 0.8686
772 SAL 0.8686
773 NIZ 0.8686
774 3PF 0.8686
775 7A8 0.8686
776 A09 0.8686
777 Q24 0.8685
778 4YO 0.8685
779 3DM 0.8683
780 GYP 0.8683
781 SEP 0.8683
782 53C 0.8683
783 ASP 0.8683
784 EHM 0.8682
785 D48 0.8682
786 IF7 0.8682
787 DYT 0.8681
788 DS0 0.8680
789 E4P 0.8680
790 3U4 0.8680
791 K6H 0.8679
792 12M 0.8679
793 MCO 0.8679
794 B2J 0.8679
795 KOJ 0.8679
796 CKU 0.8678
797 BEU 0.8678
798 P9P 0.8678
799 MEW 0.8677
800 MO8 0.8677
801 SAN 0.8677
802 TGX 0.8676
803 SNE 0.8676
804 4BY 0.8675
805 T9G 0.8675
806 MB1 0.8674
807 8OZ 0.8672
808 GF1 0.8671
809 7ME 0.8670
810 9RW 0.8670
811 2SX 0.8669
812 QX4 0.8668
813 XYL 0.8667
814 PRY 0.8667
815 5QX 0.8667
816 1LN 0.8666
817 ZZ3 0.8666
818 4XV 0.8665
819 AL0 0.8665
820 MWP 0.8664
821 BE2 0.8664
822 IFP 0.8664
823 4RU 0.8663
824 X0V 0.8663
825 NSP 0.8662
826 GDL 0.8661
827 4MA 0.8661
828 RBL 0.8661
829 4BL 0.8660
830 HBD 0.8659
831 RMN 0.8658
832 5MB 0.8657
833 PZM 0.8657
834 AX3 0.8657
835 24B 0.8657
836 LTM 0.8657
837 G2F 0.8657
838 SHG 0.8656
839 PAF 0.8655
840 HHI 0.8655
841 NOK 0.8655
842 AHR 0.8655
843 EDR 0.8654
844 4PW 0.8653
845 LRH 0.8651
846 3SK 0.8651
847 4FH 0.8651
848 M1H 0.8650
849 SKJ 0.8650
850 SD4 0.8650
851 4NC 0.8649
852 NTZ 0.8649
853 ECG 0.8649
854 FUL 0.8649
855 CHB 0.8648
856 BM3 0.8648
857 MA3 0.8647
858 EOL 0.8647
859 PBZ 0.8647
860 OGA 0.8647
861 ZB1 0.8646
862 M1P 0.8646
863 49N 0.8645
864 JWB 0.8644
865 CAM 0.8644
866 BSX 0.8643
867 NHG 0.8643
868 790 0.8643
869 173 0.8643
870 94B 0.8641
871 D07 0.8641
872 GCS 0.8641
873 EU7 0.8640
874 6J9 0.8640
875 57O 0.8640
876 67X 0.8640
877 XCZ 0.8639
878 DJN 0.8638
879 SMN 0.8638
880 TNX 0.8638
881 7MK 0.8638
882 WOO 0.8638
883 KBG 0.8637
884 XLS 0.8637
885 KIA 0.8637
886 ZZT 0.8637
887 P72 0.8636
888 BZJ 0.8636
889 IOP 0.8635
890 YRL 0.8635
891 K5W 0.8634
892 N3W 0.8633
893 ISJ 0.8633
894 3FH 0.8633
895 2D3 0.8631
896 TQU 0.8631
897 S24 0.8627
898 EKZ 0.8627
899 GLL 0.8627
900 1Y6 0.8626
901 3C4 0.8626
902 PJL 0.8626
903 ONL 0.8626
904 GRO 0.8624
905 DQU 0.8623
906 8GC 0.8623
907 3BZ 0.8623
908 HBA 0.8623
909 FBW 0.8622
910 HC4 0.8622
911 93K 0.8621
912 36E 0.8621
913 JZ4 0.8621
914 M4T 0.8620
915 GJZ 0.8619
916 PXL 0.8617
917 8SZ 0.8617
918 9R5 0.8616
919 6M4 0.8616
920 E7S 0.8615
921 SBK 0.8613
922 TRP 0.8613
923 VNJ 0.8613
924 7MX 0.8612
925 2HO 0.8610
926 8WT 0.8610
927 S7J 0.8609
928 EN1 0.8606
929 LR5 0.8606
930 AOZ 0.8606
931 NBG 0.8606
932 HHA 0.8606
933 MYJ 0.8605
934 9TW 0.8605
935 B57 0.8605
936 NBB 0.8604
937 SWA 0.8603
938 AHN 0.8601
939 S3P 0.8601
940 QSB 0.8600
941 PXM 0.8600
942 GLN 0.8600
943 ICF 0.8599
944 LCN 0.8598
945 MZT 0.8598
946 BBK 0.8598
947 HQD 0.8597
948 GOJ 0.8596
949 7QS 0.8596
950 CAH 0.8596
951 LT3 0.8596
952 B5D 0.8595
953 TYL 0.8594
954 OSE 0.8593
955 AOT 0.8593
956 ALL 0.8591
957 TLM 0.8590
958 F52 0.8590
959 0FK 0.8589
960 AEF 0.8588
961 FBF 0.8588
962 UNJ 0.8587
963 3DO 0.8586
964 JF4 0.8586
965 4XS 0.8585
966 IHB 0.8584
967 Z82 0.8584
968 AEH 0.8583
969 VK3 0.8583
970 RM4 0.8581
971 MFB 0.8580
972 GIM 0.8578
973 7I2 0.8578
974 ZGL 0.8578
975 TSU 0.8577
976 L13 0.8576
977 WCE 0.8575
978 EXD 0.8575
979 JND 0.8574
980 7WG 0.8572
981 PAC 0.8572
982 YZM 0.8571
983 S0E 0.8570
984 3ZB 0.8570
985 CNL 0.8569
986 JKE 0.8569
987 INF 0.8569
988 B62 0.8568
989 Q07 0.8568
990 CFA 0.8567
991 CTS 0.8564
992 3C2 0.8564
993 Z13 0.8563
994 2EH 0.8562
995 TL6 0.8562
996 DTR 0.8562
997 4VP 0.8562
998 1WD 0.8561
999 ABV 0.8558
1000 4JC 0.8557
1001 JF6 0.8557
1002 4HP 0.8556
1003 LYL 0.8555
1004 6UA 0.8553
1005 3XR 0.8552
1006 2EC 0.8552
1007 FDR 0.8551
1008 PJW 0.8550
1009 RBJ 0.8549
1010 DFU 0.8548
1011 TNF 0.8547
1012 JTH 0.8543
1013 3XX 0.8543
1014 E35 0.8541
1015 AAN 0.8539
1016 44V 0.8538
1017 G3P 0.8538
1018 680 0.8537
1019 3C1 0.8535
1020 MXN 0.8534
1021 TNE 0.8534
1022 KP6 0.8534
1023 FCB 0.8533
1024 4SX 0.8528
1025 0P6 0.8523
1026 HL4 0.8522
1027 PPR 0.8522
1028 308 0.8520
1029 KG1 0.8517
1030 2XX 0.8502
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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