Receptor
PDB id Resolution Class Description Source Keywords
11BA 2.06 Å EC: 3.1.27.5 BINDING OF A SUBSTRATE ANALOGUE TO A DOMAIN SWAPPING PROTEIN COMPLEX OF BOVINE SEMINAL RIBONUCLEASE WITH URIDYLYL-2',5'- BOS TAURUS HYDROLASE PHOSPHORIC DIESTER RNA 2-prime -5-prime -DINUCLEOTIDE
Ref.: BINDING OF A SUBSTRATE ANALOG TO A DOMAIN SWAPPING X-RAY STRUCTURE OF THE COMPLEX OF BOVINE SEMINAL RIBONUCLEASE WITH URIDYLYL(2',5')ADENOSINE. PROTEIN SCI. V. 7 1691 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:127;
B:128;
B:129;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
UPA A:125;
B:126;
 Valid;
Valid;
 none;
none;
 submit data
573.407 C19 H24 N7 O12 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DJV 1.6 Å EC: 3.1.27.5 BOVINE SEMINAL RIBONUCLEASE- CYTIDINE 3' PHOSPHATE COMPLEX BOS TAURUS RIBONUCLEASE HYDROLASE ALLOSTERIC ENZYME ENDONUCLEASE NUSECRETED
Ref.: MAPPING THE RIBONUCLEOLYTIC ACTIVE SITE OF BOVINE S RIBONUCLEASE. THE BINDING OF PYRIMIDINYL PHOSPHONUC INHIBITORS EUR.J.MED.CHEM. V. 44 4496 2009
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 11BA - UPA C19 H24 N7 O12 P c1nc(c2c(n....
2 1TQ9 - CPA C19 H25 N8 O9 P c1nc(c2c(n....
3 3DJO Ki = 40.8 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
4 1N3Z - U3P C9 H13 N2 O9 P C1=CN(C(=O....
5 3DJV Ki = 27.9 uM C3P C9 H14 N3 O8 P C1=CN(C(=O....
6 1R5C - CPA C19 H25 N8 O9 P c1nc(c2c(n....
7 3DJQ Ki = 1046.4 uM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 3DJP Ki = 63.2 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
9 3DJX Ki = 1557.9 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
10 11BG - U2G C19 H24 N7 O13 P c1nc2c(n1[....
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: UPA; Similar ligands found: 268
No: Ligand ECFP6 Tc MDL keys Tc
1 UPA 1 1
2 UP5 0.711712 0.986667
3 4TC 0.699115 0.961039
4 U2G 0.686957 0.925
5 APU 0.678261 0.960526
6 139 0.652542 0.961538
7 25A 0.626168 0.907895
8 25L 0.59292 0.921053
9 A2D 0.58 0.933333
10 ADP 0.578431 0.907895
11 AN2 0.572816 0.896104
12 A22 0.572727 0.921053
13 PRX 0.571429 0.8375
14 BA3 0.568627 0.933333
15 AGS 0.566038 0.8625
16 A 0.565657 0.881579
17 AMP 0.565657 0.881579
18 AP5 0.563107 0.933333
19 B4P 0.563107 0.933333
20 ADQ 0.5625 0.934211
21 HEJ 0.561905 0.907895
22 ATP 0.561905 0.907895
23 AT4 0.557692 0.873418
24 AQP 0.556604 0.907895
25 5FA 0.556604 0.907895
26 M33 0.552381 0.896104
27 CA0 0.552381 0.909091
28 ADX 0.552381 0.821429
29 HQG 0.54955 0.896104
30 50T 0.54717 0.871795
31 ACP 0.54717 0.884615
32 KG4 0.54717 0.909091
33 ATF 0.545455 0.873418
34 SRA 0.544554 0.8375
35 CG2 0.543307 0.925
36 AR6 0.542056 0.907895
37 APR 0.542056 0.907895
38 ANP 0.541284 0.884615
39 ACQ 0.541284 0.884615
40 9X8 0.53913 0.8625
41 AD9 0.537037 0.884615
42 ABM 0.533981 0.858974
43 45A 0.533981 0.858974
44 AMP MG 0.529412 0.868421
45 G3A 0.528926 0.8875
46 TAT 0.527273 0.873418
47 T99 0.527273 0.873418
48 6YZ 0.526786 0.884615
49 8LH 0.526786 0.897436
50 5SV 0.526316 0.797619
51 PUA 0.526316 0.924051
52 OAD 0.525862 0.909091
53 G5P 0.52459 0.8875
54 AP2 0.52381 0.873418
55 A12 0.52381 0.873418
56 5AL 0.522523 0.896104
57 8LE 0.522523 0.8625
58 A3R 0.521739 0.875
59 APC 0.513761 0.873418
60 SRP 0.513274 0.897436
61 AU1 0.509259 0.884615
62 A1R 0.508621 0.875
63 PAJ 0.508621 0.876543
64 4AD 0.508621 0.886076
65 4UV 0.508197 0.910256
66 BEF ADP 0.504505 0.858974
67 8LQ 0.504348 0.873418
68 QA7 0.504348 0.8625
69 3OD 0.504202 0.909091
70 BIS 0.504202 0.851852
71 1ZZ 0.504202 0.811765
72 KMQ 0.504132 0.897436
73 4UU 0.5 0.910256
74 OOB 0.5 0.921053
75 ADP BMA 0.5 0.909091
76 ADP MG 0.5 0.881579
77 OZV 0.5 0.907895
78 T5A 0.5 0.902439
79 8QN 0.5 0.896104
80 ADP BEF 0.5 0.881579
81 6V0 0.496063 0.935897
82 GTA 0.496 0.855422
83 PR8 0.495798 0.843373
84 WAQ 0.495798 0.851852
85 AMO 0.495726 0.897436
86 ADV 0.495495 0.873418
87 RBY 0.495495 0.873418
88 38V 0.492754 0.855422
89 TXE 0.492188 0.948052
90 OMR 0.492188 0.823529
91 PTJ 0.491667 0.841463
92 FYA 0.491667 0.871795
93 AHX 0.491525 0.8875
94 JNT 0.491525 0.909091
95 DLL 0.491525 0.921053
96 00A 0.491525 0.875
97 U2P 0.49 0.828947
98 SFB 0.488372 0.808989
99 3UK 0.487395 0.909091
100 A4P 0.484615 0.880952
101 TXD 0.484375 0.923077
102 NAI 0.484375 0.948052
103 9SN 0.483607 0.864198
104 LAD 0.483333 0.853659
105 B5V 0.483333 0.897436
106 V2G 0.482456 0.864198
107 ATP MG 0.482143 0.881579
108 APC MG 0.482143 0.858974
109 ATR 0.482143 0.881579
110 ADP PO3 0.482143 0.881579
111 B5M 0.479675 0.886076
112 B5Y 0.479675 0.886076
113 ME8 0.479339 0.811765
114 NB8 0.479339 0.864198
115 TXA 0.479339 0.897436
116 MAP 0.478632 0.8625
117 ANP MG 0.478261 0.871795
118 UPU 0.477477 0.866667
119 5AS 0.477064 0.755556
120 AP0 0.476923 0.911392
121 AFH 0.47619 0.876543
122 LMS 0.47619 0.77907
123 GAP 0.473684 0.884615
124 4UW 0.472868 0.876543
125 NAX 0.472868 0.9125
126 SON 0.472727 0.873418
127 DQV 0.472441 0.946667
128 A2R 0.470085 0.896104
129 A2P 0.46789 0.868421
130 FA5 0.467742 0.897436
131 JB6 0.467213 0.851852
132 ALF ADP 0.465517 0.817073
133 VO4 ADP 0.465517 0.860759
134 GA7 0.464567 0.897436
135 XAH 0.464 0.833333
136 LQJ 0.464 0.907895
137 NA7 0.46281 0.873418
138 9ZD 0.462185 0.851852
139 9ZA 0.462185 0.851852
140 80F 0.459854 0.879518
141 9BG 0.459259 0.8875
142 XYA 0.459184 0.813333
143 ADN 0.459184 0.813333
144 RAB 0.459184 0.813333
145 TYM 0.458015 0.897436
146 LAQ 0.457364 0.811765
147 PAP 0.45614 0.894737
148 GPG 0.455285 0.9
149 ADJ 0.455224 0.845238
150 A3P 0.454545 0.881579
151 L3W 0.454545 0.947368
152 48N 0.453846 0.864198
153 YLP 0.453846 0.813953
154 DAL AMP 0.453782 0.871795
155 3AM 0.45283 0.868421
156 MYR AMP 0.451613 0.790698
157 DND 0.450382 0.922078
158 4TA 0.445255 0.86747
159 ATP A 0.444444 0.894737
160 PPS 0.444444 0.8
161 EAD 0.444444 0.9125
162 ATP A A A 0.444444 0.894737
163 YLB 0.443609 0.813953
164 2AM 0.443396 0.881579
165 AOC 0.440367 0.792208
166 ODP 0.437956 0.924051
167 UCG 0.4375 0.876543
168 IOT 0.437037 0.804598
169 2A5 0.434783 0.860759
170 BTX 0.434783 0.813953
171 YLC 0.432836 0.855422
172 P1H 0.432432 0.890244
173 BT5 0.431655 0.804598
174 A4D 0.431373 0.789474
175 AR6 AR6 0.430769 0.883117
176 AYB 0.430657 0.804598
177 CNA 0.430657 0.922078
178 6MZ C U 0.430464 0.9125
179 ITT 0.429825 0.857143
180 PUP 0.429752 0.797468
181 8X1 0.429752 0.75
182 LRM 0.428571 0.860465
183 Z5A 0.427586 0.837209
184 G5A 0.42735 0.775281
185 NAJ PZO 0.425532 0.8875
186 0WD 0.42446 0.935897
187 NAD 0.42446 0.921053
188 COD 0.42446 0.806818
189 P5A 0.424 0.741935
190 V3L 0.423729 0.883117
191 YLA 0.423358 0.835294
192 NDP 0.423358 0.935897
193 5N5 0.421569 0.789474
194 7D5 0.420561 0.822785
195 TXP 0.42029 0.911392
196 ARG AMP 0.419847 0.802326
197 7MD 0.419847 0.855422
198 7D3 0.419643 0.848101
199 YLY 0.41958 0.804598
200 A3D 0.41844 0.909091
201 UDP 0.418182 0.842105
202 OVE 0.418182 0.848101
203 TSB 0.418033 0.793103
204 5CA 0.418033 0.795455
205 5CD 0.417476 0.753247
206 7D4 0.417391 0.848101
207 F2R 0.417266 0.835294
208 TAD 0.416667 0.853659
209 UFM 0.416667 0.868421
210 UPG 0.416667 0.868421
211 GDU 0.416667 0.868421
212 A5A 0.416667 0.781609
213 3DH 0.416667 0.725
214 AV2 0.416667 0.835443
215 D4F 0.416667 0.833333
216 AMP DBH 0.415385 0.860759
217 H1Q 0.413793 0.846154
218 NAQ 0.413793 0.864198
219 AHZ 0.413534 0.790698
220 SSA 0.413223 0.795455
221 NPW 0.413043 0.901235
222 FDA 0.411765 0.870588
223 62F 0.411392 0.878049
224 NSS 0.41129 0.775281
225 LPA AMP 0.410448 0.790698
226 NZQ 0.410072 0.924051
227 VMS 0.409836 0.764045
228 54H 0.409836 0.764045
229 52H 0.409836 0.755556
230 6FA 0.409091 0.857143
231 6AD 0.408333 0.831325
232 NVA LMS 0.408 0.731183
233 NJP 0.407143 0.910256
234 UTP 0.40708 0.842105
235 6MZ 0.40708 0.846154
236 NAE 0.406897 0.886076
237 53H 0.406504 0.755556
238 UPF 0.406504 0.825
239 U2F 0.406504 0.825
240 G 6MZ C U 0.406452 0.9
241 EP4 0.40566 0.707317
242 6RE 0.405405 0.714286
243 660 0.404959 0.857143
244 URM 0.404959 0.857143
245 LEU LMS 0.404762 0.709677
246 AF3 ADP 3PG 0.404412 0.809524
247 NAJ PYZ 0.40411 0.845238
248 NDE 0.403974 0.897436
249 FAS 0.403846 0.86747
250 SFD 0.403846 0.75
251 FAD 0.403846 0.86747
252 MAO 0.403509 0.715909
253 U5F 0.403509 0.842105
254 JSQ 0.403361 0.8625
255 HFD 0.403361 0.8625
256 M2T 0.401869 0.690476
257 DTA 0.401869 0.759494
258 U 0.401869 0.828947
259 U5P 0.401869 0.828947
260 7C5 0.401515 0.790123
261 NAD IBO 0.40146 0.907895
262 NAD TDB 0.40146 0.907895
263 DZD 0.401408 0.876543
264 ZID 0.401361 0.909091
265 M24 0.4 0.843373
266 LSS 0.4 0.73913
267 8PZ 0.4 0.795455
268 DSZ 0.4 0.775281
Similar Ligands (3D)
Ligand no: 1; Ligand: UPA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 CPA 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DJV; Ligand: C3P; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3djv.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 2GMK AMP 32.6923
Pocket No.: 2; Query (leader) PDB : 3DJV; Ligand: C3P; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 3djv.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 2GMK AMP 32.6923
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