Receptor
PDB id Resolution Class Description Source Keywords
3IP0 0.89 Å EC: 2.7.6.3 CRYSTAL STRUCTURE OF E. COLI HPPK IN COMPLEX WITH MGAMPCPP A HYDROXYMETHYLPTERIN/6-CARBOXYPTERIN ESCHERICHIA COLI ALPHA BETA ATP-BINDING FOLATE BIOSYNTHESIS KINASE NUCLEOBINDING TRANSFERASE
Ref.: DYNAMIC ROLES OF ARGININE RESIDUES 82 AND 92 OF ESC COLI 6-HYDROXYMETHYL-7,8-DIHYDROPTEIN PYROPHOSPHOKI CRYSTALLOGRAPHIC STUDIES BIOCHEMISTRY V. 42 1573 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:194;
A:195;
A:196;
A:197;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
APC A:171;
Valid;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
CL A:191;
A:192;
A:193;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
HHR A:181;
Valid;
none;
submit data
193.163 C7 H7 N5 O2 c1c(n...
HHS A:182;
Valid;
none;
submit data
207.146 C7 H5 N5 O3 c1c(n...
MG A:161;
A:162;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7KDR 1.49 Å EC: 2.7.6.3 CRYSTAL STRUCTURE OF ESCHERICHIA COLI HPPK IN COMPLEX WITH B INHIBITOR HP-75 ESCHERICHIA COLI (STRAIN K12) ALPHA BETA TRANSFERASE TRANSFERASE-INHIBITOR COMPLEX
Ref.: BISUBSTRATE INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYD PYROPHOSPHOKINASE: TRANSITION STATE ANALOGS FOR HIG AFFINITY BINDING. BIOORG.MED.CHEM. 15847 2020
Members (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HD1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5ETO Kd = 2.7 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
3 1HQ2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3HT0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 4M5J Kd = 14.5 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
6 5ETP Kd = 0.7 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
7 1DY3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ETM Kd = 3.9 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
9 3HSG - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5ETN Kd = 4.3 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
11 4M5M Kd = 18 uM DX4 C5 H5 N5 S c1[nH]c2c(....
12 1EX8 Kd = 0.47 uM A4P C17 H24 N10 O17 P4 c1nc(c2c(n....
13 4M5H Kd = 29 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
14 1EQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3UDE - J1B C26 H38 N12 O4 S CC1(C(=NC2....
16 1Q0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
17 1RU2 Kd = 0.32 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 3UD5 - J1A C24 H32 N12 O4 S c1c(nc2c(n....
19 4M5K Kd = 5.9 uM YH3 C14 H13 N5 O2 S Cc1cccc(c1....
20 4M5G Kd = 9.7 uM YH1 C13 H11 N5 O2 S c1ccc(cc1)....
21 5ETK Kd = 1.5 uM 5RU C12 H10 F N5 O S c1ccc(c(c1....
22 3IP0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
23 3ILO - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
24 3HD2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4M5N Kd = 7.5 uM YH7 C5 H5 N5 S C1=NC2=C(N....
26 1RB0 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
27 5ETL Kd = 23 uM 5RV C13 H10 N6 O S c1ccc(c(c1....
28 4M5I Kd = 6.7 uM YH6 C14 H13 N5 O2 S Cc1ccc(cc1....
29 4F7V Kd = 4.16 uM J1D C23 H30 N12 O8 S CC1(C(=NC2....
30 1RU1 Kd = 18 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
31 3KUH - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
32 7KDR Kd = 0.047 uM J1L C27 H36 N12 O9 S CC1(C(=NC2....
33 1F9H - PH2 C7 H9 N5 O2 C1C(=NC2=C....
34 3UDV Kd = 2.55 uM J1C C26 H36 N12 O5 S CC1(C(=NC2....
35 1RAO - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
36 7KDO ic50 = 0.38 uM H73 C27 H36 N12 O7 S CC1(C(=NC2....
37 1TMM Kd = 0.23 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
38 4M5L Kd = 18.9 uM YH4 C14 H13 N5 O2 S Cc1ccccc1C....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HD1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5ETO Kd = 2.7 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
3 1HQ2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3HT0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 4M5J Kd = 14.5 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
6 5ETP Kd = 0.7 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
7 1DY3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ETM Kd = 3.9 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
9 3HSG - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5ETN Kd = 4.3 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
11 4M5M Kd = 18 uM DX4 C5 H5 N5 S c1[nH]c2c(....
12 1EX8 Kd = 0.47 uM A4P C17 H24 N10 O17 P4 c1nc(c2c(n....
13 4M5H Kd = 29 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
14 1EQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3UDE - J1B C26 H38 N12 O4 S CC1(C(=NC2....
16 1Q0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
17 1RU2 Kd = 0.32 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 3UD5 - J1A C24 H32 N12 O4 S c1c(nc2c(n....
19 4M5K Kd = 5.9 uM YH3 C14 H13 N5 O2 S Cc1cccc(c1....
20 4M5G Kd = 9.7 uM YH1 C13 H11 N5 O2 S c1ccc(cc1)....
21 5ETK Kd = 1.5 uM 5RU C12 H10 F N5 O S c1ccc(c(c1....
22 3IP0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
23 3ILO - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
24 3HD2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4M5N Kd = 7.5 uM YH7 C5 H5 N5 S C1=NC2=C(N....
26 1RB0 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
27 5ETL Kd = 23 uM 5RV C13 H10 N6 O S c1ccc(c(c1....
28 4M5I Kd = 6.7 uM YH6 C14 H13 N5 O2 S Cc1ccc(cc1....
29 4F7V Kd = 4.16 uM J1D C23 H30 N12 O8 S CC1(C(=NC2....
30 1RU1 Kd = 18 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
31 3KUH - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
32 7KDR Kd = 0.047 uM J1L C27 H36 N12 O9 S CC1(C(=NC2....
33 1F9H - PH2 C7 H9 N5 O2 C1C(=NC2=C....
34 3UDV Kd = 2.55 uM J1C C26 H36 N12 O5 S CC1(C(=NC2....
35 1RAO - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
36 7KDO ic50 = 0.38 uM H73 C27 H36 N12 O7 S CC1(C(=NC2....
37 1TMM Kd = 0.23 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
38 4M5L Kd = 18.9 uM YH4 C14 H13 N5 O2 S Cc1ccccc1C....
39 2QX0 Kd = 0.78 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
40 1CBK - ROI C8 H11 N5 O2 CC1(C(=NC2....
50% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3HD1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5ETO Kd = 2.7 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
3 1HQ2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3HT0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 4M5J Kd = 14.5 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
6 5ETP Kd = 0.7 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
7 1DY3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ETM Kd = 3.9 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
9 3HSG - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5ETN Kd = 4.3 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
11 4M5M Kd = 18 uM DX4 C5 H5 N5 S c1[nH]c2c(....
12 1EX8 Kd = 0.47 uM A4P C17 H24 N10 O17 P4 c1nc(c2c(n....
13 4M5H Kd = 29 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
14 1EQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3UDE - J1B C26 H38 N12 O4 S CC1(C(=NC2....
16 1Q0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
17 1RU2 Kd = 0.32 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 3UD5 - J1A C24 H32 N12 O4 S c1c(nc2c(n....
19 4M5K Kd = 5.9 uM YH3 C14 H13 N5 O2 S Cc1cccc(c1....
20 4M5G Kd = 9.7 uM YH1 C13 H11 N5 O2 S c1ccc(cc1)....
21 5ETK Kd = 1.5 uM 5RU C12 H10 F N5 O S c1ccc(c(c1....
22 3IP0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
23 3ILO - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
24 3HD2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4M5N Kd = 7.5 uM YH7 C5 H5 N5 S C1=NC2=C(N....
26 1RB0 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
27 5ETL Kd = 23 uM 5RV C13 H10 N6 O S c1ccc(c(c1....
28 4M5I Kd = 6.7 uM YH6 C14 H13 N5 O2 S Cc1ccc(cc1....
29 4F7V Kd = 4.16 uM J1D C23 H30 N12 O8 S CC1(C(=NC2....
30 1RU1 Kd = 18 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
31 3KUH - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
32 7KDR Kd = 0.047 uM J1L C27 H36 N12 O9 S CC1(C(=NC2....
33 1F9H - PH2 C7 H9 N5 O2 C1C(=NC2=C....
34 3UDV Kd = 2.55 uM J1C C26 H36 N12 O5 S CC1(C(=NC2....
35 1RAO - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
36 7KDO ic50 = 0.38 uM H73 C27 H36 N12 O7 S CC1(C(=NC2....
37 1TMM Kd = 0.23 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
38 4M5L Kd = 18.9 uM YH4 C14 H13 N5 O2 S Cc1ccccc1C....
39 2QX0 Kd = 0.78 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
40 1CBK - ROI C8 H11 N5 O2 CC1(C(=NC2....
41 4AD6 Kd = 16.7 uM GSY C7 H9 N5 O2 S C(CO)n1c2c....
42 5ETQ Kd = 0.33 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
43 5ETR Kd = 0.3 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
44 4CRJ Kd = 1.1 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
45 4CWB Kd = 0.81 uM X6L C19 H15 N5 O2 S c1ccc(cc1)....
46 5ETS Kd = 1.24 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
47 3QBC Kd = 10.8 uM B55 C5 H5 N5 O S c12c([nH]c....
48 5ETT Kd = 0.59 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
49 5ETV Kd = 0.57 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: APC; Similar ligands found: 392
No: Ligand ECFP6 Tc MDL keys Tc
1 APC 1 1
2 ACQ 0.831169 0.986301
3 A12 0.821918 1
4 AP2 0.821918 1
5 ADV 0.805195 0.972973
6 RBY 0.805195 0.972973
7 AMP 0.777778 0.931507
8 A 0.777778 0.931507
9 ADP 0.763158 0.958904
10 ACP 0.75641 0.986301
11 6YZ 0.756098 0.986301
12 A2D 0.746667 0.932432
13 AP5 0.74026 0.932432
14 B4P 0.74026 0.932432
15 ATP 0.734177 0.958904
16 HEJ 0.734177 0.958904
17 BA3 0.727273 0.932432
18 AQP 0.725 0.958904
19 5FA 0.725 0.958904
20 45A 0.723684 0.881579
21 ABM 0.723684 0.881579
22 AMP MG 0.72 0.891892
23 AN2 0.708861 0.945946
24 AT4 0.708861 0.921053
25 M33 0.7 0.92
26 TAT 0.698795 0.921053
27 T99 0.698795 0.921053
28 SRA 0.697368 0.883117
29 ADP MG 0.6875 0.905405
30 ADP BEF 0.6875 0.905405
31 APR 0.682927 0.932432
32 AR6 0.682927 0.932432
33 AU1 0.679012 0.933333
34 ADX 0.679012 0.841463
35 CA0 0.679012 0.907895
36 ANP 0.678571 0.933333
37 AGS 0.674699 0.909091
38 AD9 0.674699 0.933333
39 ADP PO3 0.674699 0.905405
40 ATP MG 0.674699 0.905405
41 APC MG 0.674699 0.932432
42 50T 0.670732 0.92
43 KG4 0.670732 0.907895
44 PRX 0.662651 0.858974
45 HQG 0.647727 0.945946
46 BEF ADP 0.647059 0.881579
47 ATF 0.643678 0.921053
48 A22 0.640449 0.945946
49 MAP 0.640449 0.909091
50 GAP 0.639535 0.858974
51 TAD 0.632653 0.923077
52 5AL 0.632184 0.894737
53 8LE 0.632184 0.860759
54 V2G 0.632184 0.886076
55 SON 0.626506 0.946667
56 ADQ 0.626374 0.907895
57 ALF ADP 0.625 0.8375
58 ANP MG 0.625 0.894737
59 VO4 ADP 0.625 0.907895
60 LMS 0.620253 0.797619
61 SRP 0.617977 0.896104
62 8LH 0.617977 0.871795
63 25A 0.615385 0.932432
64 9ZA 0.615385 0.873418
65 9ZD 0.615385 0.873418
66 RAB 0.611111 0.810811
67 ADN 0.611111 0.810811
68 XYA 0.611111 0.810811
69 25L 0.610526 0.945946
70 A1R 0.608696 0.922078
71 A3R 0.608696 0.922078
72 4AD 0.608696 0.909091
73 8LQ 0.604396 0.896104
74 QA7 0.604396 0.860759
75 DAL AMP 0.604396 0.87013
76 JNT 0.602151 0.933333
77 38V 0.598214 0.924051
78 OOB 0.597826 0.894737
79 8QN 0.597826 0.894737
80 5SV 0.597826 0.839506
81 OZV 0.597826 0.932432
82 ADP BMA 0.595745 0.883117
83 OAD 0.595745 0.907895
84 9X8 0.595745 0.884615
85 PAJ 0.591398 0.851852
86 AMO 0.591398 0.921053
87 AOC 0.585366 0.789474
88 AHX 0.585106 0.886076
89 00A 0.585106 0.85
90 DLL 0.585106 0.894737
91 3OD 0.583333 0.907895
92 BIS 0.583333 0.897436
93 PTJ 0.583333 0.8625
94 3UK 0.578947 0.883117
95 DZD 0.577982 0.923077
96 5AS 0.576471 0.752809
97 5N5 0.573333 0.786667
98 O02 0.573034 0.960526
99 WAQ 0.572917 0.897436
100 B5V 0.572917 0.871795
101 LAD 0.572917 0.875
102 PR8 0.572917 0.864198
103 4TC 0.571429 0.910256
104 FYA 0.56701 0.894737
105 ME8 0.56701 0.831325
106 TXA 0.56701 0.896104
107 NB8 0.56701 0.886076
108 1ZZ 0.56701 0.831325
109 5CD 0.565789 0.773333
110 A4D 0.565789 0.786667
111 KMQ 0.565657 0.896104
112 ATP A 0.565657 0.893333
113 ATP A A A 0.565657 0.893333
114 A3P 0.564706 0.931507
115 7D5 0.5625 0.868421
116 PAP 0.561798 0.945205
117 MYR AMP 0.561224 0.809524
118 G5P 0.558824 0.886076
119 M2T 0.556962 0.707317
120 9SN 0.555556 0.839506
121 G2P 0.553191 0.923077
122 7D3 0.552941 0.894737
123 UP5 0.552381 0.884615
124 TXD 0.552381 0.873418
125 JB6 0.55102 0.873418
126 2A5 0.550562 0.907895
127 B5Y 0.55 0.860759
128 FA5 0.55 0.896104
129 B5M 0.55 0.860759
130 G3A 0.54902 0.886076
131 3AM 0.548781 0.891892
132 A2P 0.546512 0.917808
133 7D4 0.545455 0.894737
134 XAH 0.544554 0.853659
135 ATR 0.544444 0.931507
136 EP4 0.544304 0.725
137 GA7 0.543689 0.896104
138 AFH 0.543689 0.875
139 H1Q 0.539326 0.868421
140 4UV 0.539216 0.860759
141 G5A 0.538462 0.772727
142 GTA 0.538462 0.853659
143 DQV 0.538462 0.92
144 NAI 0.537736 0.873418
145 DTA 0.5375 0.779221
146 3DH 0.536585 0.74359
147 LAQ 0.533333 0.831325
148 AHZ 0.533333 0.788235
149 MTA 0.530864 0.74359
150 7MD 0.528846 0.853659
151 ARG AMP 0.528846 0.821429
152 4UU 0.528846 0.860759
153 AR6 AR6 0.528846 0.881579
154 48N 0.528302 0.886076
155 LPA AMP 0.528302 0.809524
156 ITT 0.52809 0.905405
157 L3W 0.527778 0.896104
158 AMP DBH 0.524272 0.858974
159 DND 0.523364 0.896104
160 6V0 0.523364 0.8625
161 4UW 0.523364 0.829268
162 NAX 0.523364 0.864198
163 IMO 0.523256 0.891892
164 A4P 0.522936 0.813953
165 HFD 0.521739 0.909091
166 JSQ 0.521739 0.909091
167 A5A 0.521277 0.77907
168 TSB 0.520833 0.790698
169 OMR 0.518519 0.843373
170 TXE 0.518519 0.873418
171 2AM 0.518072 0.905405
172 6RE 0.517647 0.753086
173 S4M 0.517241 0.681818
174 6MZ 0.517241 0.893333
175 V3L 0.516129 0.932432
176 SSA 0.515789 0.793103
177 YLP 0.514019 0.833333
178 UPA 0.513761 0.873418
179 AP0 0.513761 0.8625
180 139 0.513514 0.864198
181 T5A 0.513514 0.855422
182 PPS 0.510638 0.841463
183 52H 0.510417 0.752809
184 54H 0.510417 0.761364
185 VMS 0.510417 0.761364
186 A2R 0.510417 0.945946
187 CNA 0.508929 0.896104
188 ZAS 0.505882 0.7375
189 J7C 0.505747 0.7625
190 A3N 0.505747 0.75641
191 5X8 0.505495 0.75641
192 5CA 0.505155 0.793103
193 8X1 0.505155 0.747253
194 53H 0.505155 0.752809
195 TYM 0.504587 0.896104
196 AF3 ADP 3PG 0.504587 0.829268
197 ALF ADP 3PG 0.504587 0.829268
198 IOT 0.504505 0.845238
199 80F 0.504348 0.833333
200 AMP NAD 0.5 0.87013
201 YLC 0.5 0.853659
202 NAD IBO 0.5 0.881579
203 7MC 0.5 0.833333
204 ADJ 0.5 0.843373
205 YLB 0.5 0.833333
206 OVE 0.5 0.87013
207 NAD TDB 0.5 0.881579
208 P5A 0.49505 0.758242
209 LSS 0.494949 0.755556
210 DSZ 0.494949 0.793103
211 NSS 0.494949 0.793103
212 NO7 0.494845 0.896104
213 6AD 0.494737 0.875
214 MAO 0.494382 0.77381
215 DSH 0.494253 0.740741
216 A3D 0.491379 0.883117
217 F2R 0.491228 0.855422
218 9K8 0.490196 0.691489
219 O05 0.490196 0.879518
220 NVA LMS 0.49 0.747253
221 AV2 0.489583 0.881579
222 CUU 0.48913 0.958904
223 NWW 0.4875 0.72973
224 NAD 0.486957 0.894737
225 COD 0.486957 0.825581
226 4TA 0.486957 0.821429
227 YLA 0.486726 0.833333
228 LEU LMS 0.485149 0.725275
229 NA7 0.485149 0.972973
230 3AT 0.484211 0.958904
231 GJV 0.483146 0.743902
232 AYB 0.482456 0.823529
233 5AD 0.480519 0.716216
234 KAA 0.480392 0.766667
235 GSU 0.480392 0.772727
236 71V 0.477778 0.873418
237 A3G 0.477273 0.792208
238 7D7 0.474359 0.736842
239 BTX 0.474138 0.855422
240 6C6 0.473684 0.896104
241 DAT 0.473118 0.92
242 SFG 0.473118 0.766234
243 YSA 0.471698 0.772727
244 PO4 PO4 A A A A PO4 0.470588 0.866667
245 BT5 0.470085 0.845238
246 AVV 0.47 0.910256
247 SMM 0.469388 0.701149
248 DTP 0.46875 0.92
249 SAM 0.46875 0.705882
250 6IA 0.46875 0.829268
251 A7D 0.467391 0.792208
252 M24 0.466667 0.819277
253 J4G 0.466019 0.909091
254 SA8 0.463158 0.722892
255 A5D 0.463158 0.779221
256 D4F 0.46281 0.809524
257 NAE 0.46281 0.860759
258 PGS 0.462366 0.85
259 MHZ 0.462366 0.712644
260 K3K 0.462264 0.772152
261 8PZ 0.462264 0.793103
262 NAJ PZO 0.462185 0.817073
263 D5M 0.460674 0.893333
264 DA 0.460674 0.893333
265 NEC 0.460674 0.717949
266 EAD 0.459677 0.841463
267 KOY 0.459459 0.772152
268 2SA 0.459184 0.921053
269 NAQ 0.459016 0.839506
270 SAH 0.458333 0.759494
271 SAI 0.458333 0.75
272 LQJ 0.457944 0.881579
273 B1U 0.457944 0.712766
274 Y3J 0.45679 0.697368
275 AAM 0.455556 0.931507
276 6K6 0.455446 0.893333
277 ZID 0.455285 0.883117
278 S7M 0.454545 0.705882
279 4YB 0.454545 0.755556
280 YLY 0.454545 0.823529
281 C2R 0.453488 0.868421
282 AMZ 0.453488 0.88
283 A3S 0.451613 0.802632
284 Z5A 0.451613 0.772727
285 7DD 0.451613 0.945205
286 7C5 0.449541 0.7875
287 101 0.449438 0.868421
288 EEM 0.44898 0.705882
289 NWQ 0.448276 0.710526
290 NAJ PYZ 0.447154 0.77907
291 N6P 0.446602 0.878378
292 ARU 0.446602 0.829268
293 AIR 0.445783 0.864865
294 NDE 0.445312 0.896104
295 P1H 0.445312 0.821429
296 N5O 0.444444 0.75641
297 N0B 0.443548 0.833333
298 NIA 0.443182 0.792683
299 A3T 0.442105 0.789474
300 GEK 0.441176 0.753086
301 QXP 0.441176 0.758621
302 K3E 0.440367 0.7625
303 V47 0.44 0.753247
304 GP2 0.438776 0.923077
305 DDS 0.438776 0.868421
306 WSA 0.438596 0.781609
307 7DT 0.4375 0.945205
308 0WD 0.436975 0.886076
309 N5A 0.434783 0.730769
310 8BR 0.434783 0.871795
311 AAT 0.434343 0.722892
312 DZ4 0.434343 0.896104
313 K2R 0.433962 0.87013
314 TXP 0.432203 0.886076
315 GGZ 0.431373 0.795181
316 NJP 0.428571 0.909091
317 A6D 0.428571 0.717647
318 QXG 0.428571 0.75
319 NYZ 0.428571 0.923077
320 FB0 0.427481 0.83908
321 NDC 0.427481 0.8625
322 PLP AAD 0.42623 0.728261
323 649 0.426087 0.758242
324 KL2 0.425287 0.805195
325 R2V 0.424528 0.758621
326 7RA 0.423913 0.918919
327 NDP 0.423729 0.886076
328 0UM 0.423077 0.714286
329 8Q2 0.422414 0.766667
330 ACK 0.422222 0.826667
331 QQY 0.422222 0.78481
332 RGT 0.422018 0.921053
333 FDA 0.421053 0.825581
334 CC5 0.419753 0.808219
335 ANZ 0.419643 0.771084
336 K2H 0.419048 0.728395
337 62X 0.419048 0.681818
338 APU 0.418803 0.860759
339 K2W 0.418182 0.756098
340 6FA 0.41791 0.833333
341 KY2 0.417476 0.746988
342 128 0.417391 0.75
343 ODP 0.416667 0.875
344 3AD 0.416667 0.797297
345 TM1 0.416667 0.747126
346 K15 0.415094 0.697674
347 CMP 0.414894 0.864865
348 2BA 0.414894 0.878378
349 V1N 0.414414 0.881579
350 S8M 0.413462 0.775
351 7RP 0.413043 0.890411
352 K38 0.412844 0.75
353 2VA 0.412371 0.769231
354 12D 0.412281 0.758621
355 FAS 0.411765 0.843373
356 FAD 0.411765 0.843373
357 SFD 0.411765 0.729167
358 NPW 0.411765 0.876543
359 2FA 0.411765 0.782051
360 K2K 0.411215 0.753086
361 QQX 0.411111 0.775
362 62F 0.410072 0.853659
363 NX8 0.41 0.731707
364 KYB 0.409524 0.746988
365 FAI 0.408602 0.88
366 AS 0.408602 0.848101
367 RMB 0.408602 0.837838
368 NZQ 0.408333 0.898734
369 GCP 0.407767 0.910256
370 SXZ 0.407407 0.72619
371 SP1 0.406593 0.810127
372 RP1 0.406593 0.810127
373 K3H 0.405405 0.722892
374 EO7 0.404255 0.761364
375 NVA 2AD 0.40404 0.753086
376 D3Y 0.403846 0.782051
377 KB1 0.40367 0.714286
378 KY5 0.40367 0.740741
379 SLU 0.403226 0.744444
380 N01 0.403226 0.87013
381 G 0.402062 0.871795
382 5GP 0.402062 0.871795
383 2TM 0.402062 0.835443
384 NMN AMP PO4 0.401639 0.8375
385 XNP 0.401639 0.841463
386 VRT 0.4 0.7625
387 FNK 0.4 0.797753
388 ETB 0.4 0.825581
389 3L1 0.4 0.789474
390 SO8 0.4 0.759494
391 3D1 0.4 0.789474
392 DCA 0.4 0.837209
Ligand no: 2; Ligand: HHR; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 HHR 1 1
2 PMM 0.625 0.790323
3 HH2 0.583333 0.765625
4 MPU 0.533333 0.830508
5 NEO 0.533333 0.830508
6 NEU 0.533333 0.830508
7 HHS 0.517857 0.849057
8 BIO 0.483333 0.818182
9 PD8 0.454545 0.753846
10 PE0 0.442308 0.82
Ligand no: 3; Ligand: HHS; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 HHS 1 1
2 HHR 0.517857 0.849057
3 MPU 0.47619 0.766667
4 NEU 0.47619 0.766667
5 NEO 0.47619 0.766667
6 BIO 0.47541 0.884615
7 PMM 0.460317 0.758065
8 PE0 0.433962 0.854167
9 HH2 0.432836 0.734375
10 JP2 0.403226 1
Similar Ligands (3D)
Ligand no: 1; Ligand: APC; Similar ligands found: 16
No: Ligand Similarity coefficient
1 GTP 0.9540
2 GH3 0.9510
3 2KH 0.9199
4 ADP ALF 0.9178
5 UTP 0.9039
6 DGT 0.9014
7 GNP 0.8983
8 CTP 0.8893
9 DCP 0.8885
10 GTP MG 0.8882
11 8DG 0.8837
12 DCT 0.8793
13 GSP 0.8789
14 GDP 0.8746
15 TTP 0.8740
16 ADP AF3 0.8583
Ligand no: 2; Ligand: HHR; Similar ligands found: 1084
No: Ligand Similarity coefficient
1 PH2 1.0000
2 ZZZ 0.9969
3 2K8 0.9885
4 B62 0.9813
5 QX4 0.9811
6 44W 0.9805
7 44V 0.9802
8 DQU 0.9801
9 9R5 0.9788
10 6ME 0.9785
11 0FO 0.9773
12 PRF 0.9759
13 XHP 0.9746
14 MVN 0.9741
15 OTW 0.9721
16 N8Y 0.9708
17 FDR 0.9705
18 PQ0 0.9607
19 8HC 0.9593
20 N0Z 0.9592
21 B56 0.9581
22 2FQ 0.9571
23 0FK 0.9569
24 UFO 0.9550
25 0TU 0.9548
26 3Z8 0.9527
27 4JQ 0.9522
28 4YO 0.9521
29 KUF 0.9508
30 MQN 0.9508
31 CLZ 0.9504
32 0P6 0.9496
33 3QV 0.9488
34 CWS 0.9476
35 ZYR 0.9475
36 2HQ 0.9468
37 8CM 0.9461
38 86J 0.9448
39 20J 0.9447
40 2EC 0.9443
41 2KA 0.9442
42 JF2 0.9432
43 8MO 0.9431
44 B5D 0.9426
45 TGX 0.9421
46 HBO 0.9418
47 DNA 0.9409
48 N2I 0.9405
49 94W 0.9401
50 BEA 0.9397
51 6Q3 0.9392
52 Q71 0.9391
53 4KL 0.9380
54 AJV 0.9370
55 BNX 0.9365
56 5TY 0.9363
57 GDL 0.9361
58 68A 0.9355
59 QBK 0.9352
60 Q77 0.9351
61 R9Y 0.9351
62 VOH 0.9350
63 XAZ 0.9349
64 URC 0.9345
65 KDV 0.9341
66 BCU 0.9339
67 15N 0.9339
68 8W9 0.9336
69 8ZE 0.9334
70 0JD 0.9334
71 HBI 0.9334
72 8WT 0.9328
73 EOL 0.9323
74 INE 0.9322
75 8NX 0.9319
76 J6W 0.9316
77 LOG 0.9313
78 H5B 0.9310
79 GJP 0.9310
80 8TX 0.9310
81 WSD 0.9309
82 NAG 0.9308
83 JU2 0.9306
84 VXX 0.9300
85 MUA 0.9297
86 5RO 0.9296
87 15E 0.9296
88 4RU 0.9295
89 E1T 0.9294
90 6E8 0.9289
91 1HN 0.9288
92 GXY 0.9288
93 K3Q 0.9285
94 APZ 0.9280
95 7AP 0.9276
96 7B3 0.9275
97 ROI 0.9273
98 SLS 0.9273
99 DX3 0.9271
100 3ZB 0.9270
101 MAQ 0.9269
102 ST2 0.9269
103 V1T 0.9265
104 JF1 0.9257
105 M1Q 0.9257
106 GCS 0.9254
107 344 0.9253
108 APS 0.9253
109 NGA 0.9253
110 6KT 0.9249
111 E7S 0.9249
112 ARP 0.9247
113 H4B 0.9245
114 M6N 0.9244
115 B55 0.9238
116 J9W 0.9237
117 12T 0.9233
118 B60 0.9232
119 5NE 0.9232
120 HKD 0.9232
121 UNJ 0.9228
122 2AK 0.9227
123 PYQ 0.9227
124 9ZE 0.9227
125 BTY 0.9226
126 FDB 0.9223
127 K97 0.9222
128 CK2 0.9221
129 H2B 0.9220
130 MO8 0.9216
131 JXW 0.9216
132 DPZ 0.9215
133 HNT 0.9215
134 4TU 0.9213
135 BGC 0.9212
136 Q24 0.9211
137 4AB 0.9210
138 AQO 0.9210
139 ESI 0.9210
140 4HC 0.9209
141 28N 0.9209
142 KT7 0.9206
143 3VX 0.9206
144 G3F 0.9205
145 AP4 0.9204
146 J9T 0.9204
147 JND 0.9203
148 AJ2 0.9200
149 JXZ 0.9199
150 0N7 0.9197
151 CWJ 0.9196
152 6VD 0.9192
153 2A9 0.9191
154 AA 0.9191
155 92P 0.9190
156 537 0.9189
157 CH9 0.9187
158 2BG 0.9185
159 E1K 0.9185
160 4ME 0.9185
161 IV2 0.9182
162 C9E 0.9182
163 AJY 0.9181
164 428 0.9181
165 MEW 0.9178
166 NDG 0.9177
167 N91 0.9176
168 THA 0.9175
169 AZ8 0.9174
170 BHS 0.9174
171 8WO 0.9174
172 M5K 0.9172
173 27B 0.9171
174 8S0 0.9167
175 BGU 0.9167
176 NID 0.9166
177 KTW 0.9164
178 TT4 0.9164
179 1KP 0.9163
180 MAG 0.9163
181 TWO 0.9162
182 ZSP 0.9162
183 ANF 0.9161
184 2FY 0.9158
185 TOF 0.9158
186 1A7 0.9156
187 DEE 0.9154
188 A2G 0.9153
189 GLC 0.9152
190 SOR 0.9151
191 MQG 0.9151
192 8IG 0.9151
193 3MG 0.9150
194 JG8 0.9149
195 0J5 0.9149
196 0XT 0.9148
197 61M 0.9148
198 BK9 0.9148
199 75K 0.9148
200 BBK 0.9146
201 OQC 0.9145
202 8XL 0.9144
203 BDP 0.9144
204 EN1 0.9140
205 A29 0.9139
206 1QP 0.9139
207 2LY 0.9137
208 PEY 0.9137
209 DRL 0.9137
210 7MU 0.9137
211 TTY 0.9136
212 DRG 0.9133
213 HQD 0.9133
214 K2T 0.9129
215 5WU 0.9122
216 COU 0.9120
217 KYA 0.9120
218 1SS 0.9120
219 MRW 0.9119
220 X0U 0.9118
221 4FS 0.9117
222 H42 0.9117
223 OCH 0.9116
224 GO8 0.9116
225 KIB 0.9115
226 97T 0.9114
227 MS9 0.9113
228 069 0.9113
229 LT2 0.9112
230 1M2 0.9111
231 03V 0.9110
232 BPU 0.9109
233 5QY 0.9107
234 2AQ 0.9104
235 D07 0.9104
236 A7H 0.9104
237 ES5 0.9103
238 5NS 0.9103
239 1F1 0.9103
240 TTL 0.9103
241 GAL 0.9101
242 4VS 0.9100
243 TIY 0.9099
244 GHM 0.9099
245 VK3 0.9099
246 FBB 0.9097
247 HA5 0.9097
248 1P7 0.9095
249 RZH 0.9095
250 46P 0.9094
251 NQ 0.9093
252 DHQ 0.9093
253 RXA 0.9089
254 7MX 0.9089
255 XIY 0.9089
256 DIN 0.9086
257 30G 0.9086
258 5XC 0.9086
259 4BY 0.9086
260 9FL 0.9085
261 TSS 0.9085
262 UAN 0.9084
263 MD6 0.9084
264 NDM 0.9083
265 H7Y 0.9078
266 AZ9 0.9076
267 2D0 0.9076
268 A7W 0.9075
269 5JL 0.9073
270 ES2 0.9072
271 9CA 0.9070
272 JBZ 0.9068
273 0FR 0.9068
274 AN3 0.9068
275 N7I 0.9068
276 5OB 0.9067
277 MR1 0.9067
278 DOB 0.9067
279 32X 0.9065
280 JTH 0.9065
281 0HN 0.9064
282 3PF 0.9064
283 4I8 0.9063
284 6NI 0.9062
285 C2Y 0.9060
286 L99 0.9060
287 I3A 0.9060
288 CFF 0.9058
289 0FN 0.9055
290 39O 0.9054
291 1IT 0.9054
292 BZ3 0.9054
293 5GV 0.9054
294 IAC 0.9053
295 DNF 0.9052
296 M0W 0.9052
297 GNM 0.9051
298 9FE 0.9050
299 209 0.9050
300 JXN 0.9049
301 LGC 0.9048
302 ESP 0.9047
303 J9Q 0.9047
304 5JQ 0.9046
305 GCU 0.9044
306 LZ2 0.9042
307 6X9 0.9042
308 4M4 0.9042
309 EUG 0.9042
310 RM1 0.9041
311 BA5 0.9041
312 JYT 0.9040
313 BZJ 0.9040
314 3A9 0.9039
315 ODO 0.9037
316 RH1 0.9037
317 V55 0.9036
318 ZVO 0.9035
319 8NB 0.9035
320 E7R 0.9035
321 0HO 0.9035
322 BHA 0.9035
323 FA0 0.9035
324 3DO 0.9034
325 0J4 0.9033
326 7VS 0.9032
327 5QX 0.9031
328 HLZ 0.9028
329 KW8 0.9027
330 3DM 0.9027
331 JDN 0.9025
332 W81 0.9025
333 6QF 0.9024
334 4JT 0.9023
335 B57 0.9021
336 E7Z 0.9020
337 M1H 0.9020
338 KMY 0.9020
339 XQ0 0.9019
340 H33 0.9019
341 LNR 0.9019
342 PXL 0.9018
343 AC2 0.9017
344 AEH 0.9017
345 6NT 0.9017
346 4MU 0.9017
347 ZEC 0.9017
348 E35 0.9015
349 2CZ 0.9014
350 4Z4 0.9013
351 KJH 0.9012
352 12Q 0.9012
353 QIV 0.9012
354 Z5P 0.9010
355 FLV 0.9009
356 SKA 0.9009
357 I3E 0.9009
358 42A 0.9008
359 KJU 0.9008
360 SKF 0.9007
361 NFM 0.9007
362 3J8 0.9006
363 5B1 0.9006
364 7W1 0.9004
365 KJY 0.9004
366 HHA 0.9004
367 SG2 0.9004
368 ICO 0.9003
369 EE8 0.9002
370 DBJ 0.9002
371 MIG 0.9002
372 ESX 0.9002
373 F9Y 0.9001
374 6FB 0.9001
375 TYL 0.9001
376 J5I 0.9000
377 1P8 0.9000
378 JAW 0.9000
379 SRO 0.8999
380 86L 0.8999
381 SYA 0.8996
382 PJW 0.8996
383 36R 0.8995
384 CLW 0.8995
385 2HU 0.8995
386 ABI 0.8994
387 7HQ 0.8993
388 VNL 0.8993
389 B61 0.8993
390 QAS 0.8993
391 9KT 0.8992
392 LDR 0.8991
393 4M0 0.8991
394 WS7 0.8991
395 7ME 0.8990
396 EUE 0.8990
397 7B4 0.8989
398 BPY 0.8988
399 SNG 0.8986
400 54X 0.8985
401 NSG 0.8984
402 FF2 0.8983
403 GC3 0.8983
404 GO2 0.8983
405 LDP 0.8982
406 S0E 0.8982
407 MS0 0.8982
408 4V2 0.8981
409 F0J 0.8981
410 JB8 0.8981
411 M0Q 0.8981
412 I6G 0.8981
413 SXS 0.8981
414 G3E 0.8980
415 L22 0.8980
416 JP2 0.8980
417 LZM 0.8979
418 SNO 0.8979
419 37T 0.8978
420 8Y7 0.8978
421 BZ2 0.8978
422 ST1 0.8977
423 549 0.8976
424 5RN 0.8976
425 M2K 0.8974
426 L46 0.8973
427 9LI 0.8973
428 CTL 0.8973
429 3NY 0.8973
430 92K 0.8972
431 AX3 0.8972
432 2ZM 0.8971
433 VGD 0.8970
434 4BL 0.8970
435 Q88 0.8970
436 SHG 0.8968
437 NDD 0.8968
438 EXD 0.8964
439 3R6 0.8963
440 FOT 0.8963
441 ADZ 0.8962
442 SE2 0.8961
443 JXK 0.8961
444 X8D 0.8961
445 GSY 0.8961
446 680 0.8960
447 HQT 0.8958
448 24W 0.8957
449 AMR 0.8956
450 2O6 0.8956
451 PNZ 0.8955
452 JB5 0.8954
453 OA3 0.8954
454 LI6 0.8953
455 ANC 0.8953
456 BQ2 0.8953
457 505 0.8953
458 EVA 0.8953
459 M4E 0.8952
460 226 0.8952
461 GJS 0.8951
462 5VM 0.8950
463 EMZ 0.8950
464 F4E 0.8949
465 5NI 0.8947
466 ZYQ 0.8946
467 D48 0.8946
468 5GU 0.8945
469 ASC 0.8945
470 GZL 0.8945
471 4BZ 0.8942
472 Y3L 0.8941
473 MNS 0.8941
474 JYB 0.8941
475 MWP 0.8941
476 5NU 0.8940
477 3R4 0.8938
478 NDH 0.8938
479 F5C 0.8938
480 ICB 0.8937
481 EGR 0.8936
482 64C 0.8936
483 PQK 0.8936
484 MFZ 0.8936
485 GCB 0.8935
486 3HA 0.8935
487 3GQ 0.8933
488 ASO 0.8933
489 FE DB1 0.8931
490 XDE 0.8931
491 ALE 0.8931
492 HRM 0.8930
493 IWT 0.8928
494 GI3 0.8928
495 5CU 0.8928
496 9AP 0.8927
497 ALL 0.8927
498 MSR 0.8927
499 F2W 0.8924
500 DBH 0.8924
501 SHA 0.8924
502 M5H 0.8924
503 KTJ 0.8924
504 CWM 0.8922
505 4NC 0.8922
506 HHT 0.8922
507 X11 0.8921
508 M78 0.8920
509 Q7A 0.8920
510 WOO 0.8920
511 ISN 0.8920
512 4AA 0.8918
513 XX2 0.8918
514 5WY 0.8917
515 GUN 0.8917
516 UNC 0.8916
517 E5X 0.8913
518 K37 0.8912
519 QAT 0.8912
520 PX7 0.8910
521 7ZE 0.8908
522 ET2 0.8908
523 G12 0.8907
524 3IT 0.8907
525 RNO 0.8907
526 INO 0.8906
527 PFB 0.8906
528 H4E 0.8905
529 9UL 0.8903
530 QPR 0.8902
531 0W8 0.8899
532 IOS 0.8898
533 LKA 0.8898
534 ONZ 0.8898
535 6FZ 0.8897
536 K82 0.8897
537 NIZ 0.8897
538 K68 0.8896
539 0W1 0.8896
540 B53 0.8896
541 JBK 0.8895
542 FQX 0.8894
543 AZA 0.8894
544 3F0 0.8894
545 7PJ 0.8894
546 9MG 0.8894
547 DPT 0.8893
548 CTS 0.8893
549 GZ8 0.8893
550 Q6T 0.8892
551 5WX 0.8892
552 N2M 0.8891
553 GTQ 0.8890
554 JUG 0.8890
555 R8V 0.8890
556 ANN 0.8890
557 IPB 0.8889
558 DDU 0.8889
559 DHB 0.8889
560 ES7 0.8888
561 2GS 0.8888
562 4V6 0.8888
563 2ZQ 0.8887
564 55D 0.8887
565 IGA 0.8887
566 X04 0.8885
567 I4D 0.8885
568 2GQ 0.8885
569 1SQ 0.8884
570 3M0 0.8884
571 52C 0.8884
572 BHQ 0.8883
573 K44 0.8883
574 NVU 0.8882
575 HJP 0.8881
576 5WV 0.8880
577 XAN 0.8880
578 DHC 0.8878
579 ES0 0.8877
580 XM5 0.8877
581 FHB 0.8877
582 2H5 0.8876
583 3Y7 0.8876
584 NNO 0.8876
585 NOY 0.8875
586 TH7 0.8875
587 PXM 0.8874
588 HA7 0.8874
589 F6P 0.8873
590 CG 0.8871
591 CHQ 0.8871
592 TSR 0.8870
593 N1E 0.8870
594 5LA 0.8869
595 GVG 0.8869
596 JBH 0.8868
597 HMH 0.8868
598 FHC 0.8868
599 SLC 0.8866
600 HQJ 0.8866
601 9DG 0.8865
602 9BF 0.8865
603 S60 0.8865
604 GF4 0.8864
605 7W4 0.8862
606 KP2 0.8861
607 NLA 0.8861
608 X05 0.8861
609 7I2 0.8860
610 SX1 0.8859
611 MOK 0.8859
612 EYV 0.8859
613 4A3 0.8859
614 54G 0.8858
615 GDE 0.8858
616 KKN 0.8858
617 1LQ 0.8858
618 EA1 0.8857
619 MAJ 0.8857
620 3RI 0.8856
621 5M0 0.8855
622 EJZ 0.8855
623 DGJ 0.8855
624 CIY 0.8854
625 2HC 0.8854
626 363 0.8851
627 IFL 0.8849
628 LZB 0.8848
629 06B 0.8847
630 4XV 0.8846
631 AMH 0.8846
632 3HM 0.8846
633 IL5 0.8846
634 1NP 0.8845
635 4NM 0.8845
636 5Q0 0.8844
637 5MK 0.8844
638 ES1 0.8844
639 DHK 0.8843
640 7VJ 0.8843
641 GM7 0.8843
642 SYV 0.8841
643 141 0.8841
644 SNU 0.8841
645 18N 0.8840
646 LAO 0.8838
647 A5E 0.8837
648 6RQ 0.8837
649 42C 0.8836
650 93K 0.8835
651 2F6 0.8835
652 K25 0.8835
653 4YS 0.8833
654 2F8 0.8833
655 4AN 0.8832
656 7NI 0.8832
657 2HO 0.8831
658 IBM 0.8831
659 YQA 0.8831
660 8H8 0.8831
661 CKA 0.8830
662 N5J 0.8830
663 4HM 0.8830
664 1LM 0.8830
665 A2F 0.8830
666 5SG 0.8829
667 HNQ 0.8829
668 0F9 0.8826
669 QMS 0.8826
670 PRZ 0.8826
671 GLA 0.8825
672 O72 0.8825
673 091 0.8824
674 SWA 0.8824
675 XFE 0.8821
676 1XM 0.8820
677 259 0.8820
678 5IQ 0.8820
679 64E 0.8820
680 878 0.8820
681 KJ5 0.8820
682 PDC 0.8820
683 JPZ 0.8819
684 QBM 0.8819
685 HX3 0.8818
686 6CS 0.8818
687 NGT 0.8818
688 NGW 0.8818
689 DNC 0.8817
690 6AP 0.8817
691 EVF 0.8817
692 D3G 0.8816
693 5V7 0.8816
694 6BL 0.8815
695 YZM 0.8815
696 5VL 0.8815
697 1L5 0.8815
698 5RG 0.8813
699 OTR 0.8813
700 57O 0.8813
701 BPN 0.8813
702 22L 0.8812
703 TZF 0.8811
704 HQY 0.8810
705 5OO 0.8810
706 N4E 0.8809
707 ST3 0.8808
708 IJZ 0.8808
709 2AL 0.8808
710 36M 0.8807
711 SKM 0.8807
712 CN0 0.8806
713 SOE 0.8806
714 GTC 0.8806
715 QUS 0.8805
716 K32 0.8805
717 AJ1 0.8804
718 G1O 0.8803
719 A7N 0.8801
720 NBG 0.8801
721 4XS 0.8801
722 21D 0.8800
723 NOJ 0.8799
724 K6X 0.8798
725 6GU 0.8798
726 MUR 0.8798
727 M1E 0.8798
728 MYJ 0.8797
729 CCV 0.8797
730 54Z 0.8796
731 7VP 0.8796
732 PMP 0.8796
733 FYU 0.8794
734 173 0.8792
735 PHH 0.8791
736 RA7 0.8791
737 CHB 0.8791
738 AZG 0.8788
739 3WA 0.8788
740 WS6 0.8788
741 36E 0.8788
742 2JK 0.8787
743 GOX 0.8787
744 EAE 0.8787
745 X0T 0.8785
746 CFA 0.8785
747 4XH 0.8785
748 JR2 0.8785
749 42J 0.8784
750 795 0.8783
751 G2F 0.8783
752 LYL 0.8783
753 7WR 0.8782
754 I2E 0.8780
755 C2U 0.8779
756 ISZ 0.8779
757 TXW 0.8779
758 OSB 0.8779
759 X09 0.8778
760 OW4 0.8777
761 R6T 0.8776
762 PPY 0.8776
763 IPD 0.8775
764 DK1 0.8774
765 JBQ 0.8774
766 DX4 0.8772
767 TEP 0.8772
768 P9E 0.8771
769 CFP 0.8771
770 GIV 0.8771
771 293 0.8771
772 HPT 0.8770
773 67N 0.8769
774 HH8 0.8769
775 BHO 0.8769
776 DBX 0.8767
777 AH9 0.8767
778 OVM 0.8765
779 MAN 0.8765
780 PD2 0.8763
781 290 0.8762
782 X0W 0.8761
783 ZME 0.8760
784 FTV 0.8760
785 8XQ 0.8759
786 FK1 0.8756
787 NQH 0.8756
788 NTZ 0.8756
789 6HP 0.8755
790 M1A 0.8754
791 K7H 0.8754
792 ZZT 0.8754
793 2FX 0.8754
794 F31 0.8752
795 NCT 0.8752
796 L5V 0.8751
797 PFL 0.8751
798 5WT 0.8750
799 AJG 0.8750
800 XQK 0.8749
801 5GT 0.8748
802 J9N 0.8748
803 HH5 0.8747
804 7FF 0.8746
805 L1O 0.8745
806 4NB 0.8745
807 NSP 0.8745
808 LQ2 0.8745
809 0NX 0.8744
810 TCR 0.8744
811 FP1 0.8744
812 HIS 0.8744
813 774 0.8742
814 GT0 0.8741
815 3XR 0.8741
816 9TW 0.8740
817 H4N 0.8740
818 DHY 0.8740
819 3MB 0.8739
820 1Z6 0.8739
821 CFI 0.8739
822 P9P 0.8738
823 DIU 0.8738
824 11S 0.8737
825 GLO 0.8737
826 HC4 0.8737
827 3ID 0.8735
828 GVY 0.8735
829 AKH 0.8734
830 YRL 0.8734
831 4NO 0.8732
832 RSV 0.8732
833 DMD 0.8731
834 ONR 0.8731
835 YH7 0.8730
836 ENO 0.8729
837 L14 0.8728
838 F1A 0.8727
839 4SX 0.8727
840 EV2 0.8726
841 R20 0.8722
842 GTR 0.8721
843 BOA 0.8720
844 CPZ 0.8719
845 EQT 0.8717
846 49O 0.8717
847 CXH 0.8717
848 8GK 0.8717
849 0CU 0.8715
850 X0V 0.8715
851 OW7 0.8714
852 1GN 0.8714
853 T1N 0.8712
854 HX4 0.8712
855 EV3 0.8710
856 PZI 0.8710
857 149 0.8709
858 QSB 0.8708
859 ES9 0.8707
860 1QV 0.8705
861 MQB 0.8705
862 ORO 0.8703
863 ABV 0.8702
864 JY2 0.8700
865 FBM 0.8700
866 2QC 0.8699
867 TJM 0.8699
868 45L 0.8698
869 1U6 0.8696
870 12B 0.8695
871 F4K 0.8693
872 GXL 0.8693
873 GOE 0.8693
874 C53 0.8693
875 9KZ 0.8693
876 NPX 0.8693
877 S98 0.8693
878 8U3 0.8692
879 D2G 0.8692
880 261 0.8692
881 8OZ 0.8692
882 QWN 0.8691
883 PRL 0.8690
884 OXC 0.8690
885 39A 0.8689
886 MT0 0.8688
887 M6Z 0.8688
888 J01 0.8687
889 FUD 0.8687
890 9TZ 0.8686
891 K4V 0.8685
892 EV0 0.8684
893 KG1 0.8684
894 BZX 0.8684
895 N3W 0.8683
896 AMG 0.8682
897 G6P 0.8682
898 KOJ 0.8682
899 ADA 0.8681
900 AY4 0.8680
901 GI1 0.8679
902 9H2 0.8679
903 4P5 0.8679
904 2FG 0.8678
905 K22 0.8678
906 DX1 0.8677
907 S0G 0.8677
908 JY4 0.8676
909 G14 0.8676
910 ZZA 0.8675
911 MBG 0.8675
912 8NY 0.8674
913 S8A 0.8674
914 5OF 0.8674
915 4A5 0.8674
916 F69 0.8673
917 IHB 0.8673
918 TYR 0.8671
919 VC2 0.8670
920 C8O 0.8670
921 BCP 0.8670
922 67X 0.8670
923 GAF 0.8669
924 495 0.8669
925 PBA 0.8669
926 IFP 0.8668
927 5MI 0.8667
928 SN4 0.8667
929 PHE 0.8667
930 HMU 0.8665
931 PLP 0.8663
932 7O4 0.8662
933 OVP 0.8660
934 582 0.8659
935 BIK 0.8658
936 B0K 0.8658
937 24B 0.8658
938 9PY 0.8657
939 B52 0.8656
940 QQQ 0.8655
941 DUR 0.8654
942 AH6 0.8654
943 UEG 0.8653
944 6M9 0.8653
945 FBG 0.8652
946 1XN 0.8651
947 6TZ 0.8651
948 5MB 0.8650
949 GCV 0.8650
950 NGO 0.8650
951 4WL 0.8649
952 HLD 0.8649
953 14O 0.8648
954 6HO 0.8648
955 QSH 0.8648
956 HZQ 0.8647
957 MPK 0.8647
958 BMA 0.8647
959 A65 0.8646
960 RD4 0.8646
961 4LW 0.8645
962 JTA 0.8644
963 OCZ 0.8644
964 36Y 0.8643
965 X6X 0.8641
966 FGZ 0.8640
967 TAG 0.8640
968 JVN 0.8640
969 F60 0.8639
970 XCG 0.8639
971 GC2 0.8638
972 X48 0.8638
973 5VJ 0.8638
974 2J1 0.8637
975 YZ9 0.8636
976 EKZ 0.8635
977 GNV 0.8633
978 BNT 0.8632
979 YSO 0.8631
980 2MI 0.8630
981 NPS 0.8630
982 717 0.8630
983 THM 0.8629
984 AX7 0.8629
985 XXP 0.8627
986 SQ7 0.8627
987 4ZA 0.8627
988 3FH 0.8627
989 5H1 0.8626
990 D1X 0.8626
991 E1P 0.8625
992 6AI 0.8624
993 GZ2 0.8624
994 2SX 0.8624
995 XQG 0.8623
996 TPA 0.8622
997 AW5 0.8621
998 EYK 0.8620
999 PUE 0.8618
1000 TRP 0.8615
1001 BSP 0.8612
1002 2D3 0.8612
1003 TMG 0.8611
1004 96R 0.8610
1005 GCO 0.8610
1006 3VQ 0.8609
1007 0RW 0.8608
1008 4VY 0.8608
1009 MXD 0.8608
1010 QX2 0.8607
1011 M5N 0.8607
1012 CNI 0.8605
1013 IQZ 0.8603
1014 372 0.8603
1015 SYE 0.8603
1016 DHR 0.8602
1017 ODK 0.8600
1018 JGB 0.8600
1019 0BP 0.8599
1020 3VS 0.8599
1021 657 0.8598
1022 GAB 0.8598
1023 2K4 0.8596
1024 6M1 0.8596
1025 QWW 0.8595
1026 L1Q 0.8594
1027 B2J 0.8593
1028 LO1 0.8592
1029 4CS 0.8592
1030 CSN 0.8590
1031 DOR 0.8590
1032 F12 0.8590
1033 XXR 0.8589
1034 TQU 0.8589
1035 2PV 0.8586
1036 LIP 0.8584
1037 25W 0.8584
1038 270 0.8583
1039 E3D 0.8582
1040 2PK 0.8582
1041 GNY 0.8580
1042 QXW 0.8580
1043 GRE 0.8580
1044 1XA 0.8579
1045 GOJ 0.8578
1046 GYE 0.8578
1047 P7Y 0.8577
1048 OMD 0.8577
1049 JAE 0.8575
1050 3N1 0.8575
1051 M1Z 0.8572
1052 5TZ 0.8571
1053 6DP 0.8569
1054 RVE 0.8569
1055 2UZ 0.8569
1056 6F0 0.8568
1057 JLZ 0.8568
1058 F05 0.8567
1059 6L6 0.8567
1060 K17 0.8564
1061 6R8 0.8563
1062 II4 0.8563
1063 5XL 0.8558
1064 KGK 0.8557
1065 NPO 0.8557
1066 3NT 0.8556
1067 L7T 0.8555
1068 BNL 0.8555
1069 0GZ 0.8554
1070 P72 0.8554
1071 PHU 0.8554
1072 QNA 0.8552
1073 PHB 0.8552
1074 QUZ 0.8544
1075 RMN 0.8543
1076 R2P 0.8537
1077 YIO 0.8534
1078 3AB 0.8533
1079 1WG 0.8526
1080 96U 0.8520
1081 DE5 0.8517
1082 4MA 0.8513
1083 PIY 0.8512
1084 GJK 0.8504
Ligand no: 3; Ligand: HHS; Similar ligands found: 896
No: Ligand Similarity coefficient
1 2K8 1.0000
2 PH2 0.9808
3 0FK 0.9748
4 8HC 0.9735
5 B56 0.9727
6 FDR 0.9688
7 N0Z 0.9675
8 5TY 0.9637
9 9R5 0.9596
10 ZYR 0.9570
11 HBI 0.9565
12 344 0.9559
13 V1T 0.9536
14 7AP 0.9533
15 68A 0.9531
16 N8Y 0.9526
17 H4B 0.9518
18 6ME 0.9518
19 ZSP 0.9495
20 15N 0.9493
21 4KL 0.9485
22 E1T 0.9480
23 JF2 0.9477
24 44V 0.9473
25 DQU 0.9463
26 0JD 0.9462
27 8NX 0.9461
28 3VX 0.9455
29 JF1 0.9447
30 KTW 0.9445
31 H2B 0.9442
32 N91 0.9439
33 OTW 0.9431
34 4AB 0.9431
35 ESI 0.9430
36 0FO 0.9430
37 44W 0.9430
38 B62 0.9425
39 HNT 0.9422
40 MVN 0.9421
41 SLS 0.9418
42 UNJ 0.9413
43 0FR 0.9407
44 12T 0.9405
45 BGU 0.9405
46 XHP 0.9402
47 6KT 0.9400
48 DNA 0.9400
49 PRF 0.9399
50 QX4 0.9394
51 6QF 0.9382
52 WSD 0.9381
53 5RO 0.9380
54 9ZE 0.9377
55 BHS 0.9376
56 S60 0.9373
57 537 0.9366
58 B21 0.9366
59 HBO 0.9366
60 3ZB 0.9361
61 UFO 0.9356
62 3J8 0.9353
63 NAG 0.9348
64 HA5 0.9347
65 1HN 0.9339
66 4RU 0.9336
67 KF5 0.9336
68 GJP 0.9329
69 BZJ 0.9324
70 ZHA 0.9322
71 ANC 0.9317
72 5GV 0.9316
73 6FB 0.9311
74 JG8 0.9311
75 4BY 0.9310
76 N1E 0.9307
77 H5B 0.9307
78 CLZ 0.9303
79 27B 0.9299
80 JBZ 0.9295
81 428 0.9293
82 BNX 0.9291
83 GHM 0.9286
84 KYA 0.9283
85 549 0.9283
86 BPY 0.9281
87 ARP 0.9279
88 APS 0.9279
89 ANF 0.9279
90 3QV 0.9277
91 4BL 0.9277
92 QIV 0.9276
93 CH9 0.9270
94 B5D 0.9269
95 VXX 0.9269
96 2FQ 0.9268
97 BEA 0.9267
98 AN3 0.9266
99 8MO 0.9265
100 AA 0.9260
101 CK2 0.9253
102 MQN 0.9251
103 MQG 0.9249
104 SG2 0.9249
105 8ZE 0.9246
106 EE8 0.9246
107 3Y7 0.9245
108 Q71 0.9245
109 54X 0.9242
110 DRG 0.9239
111 GNM 0.9237
112 4JQ 0.9236
113 FF2 0.9234
114 E1K 0.9233
115 9FE 0.9227
116 N2I 0.9224
117 MD6 0.9224
118 AJV 0.9222
119 TWO 0.9222
120 HJH 0.9221
121 61M 0.9219
122 DNF 0.9216
123 GDL 0.9214
124 8NB 0.9212
125 1F1 0.9211
126 KW8 0.9210
127 GO2 0.9209
128 ZYQ 0.9208
129 M78 0.9207
130 0TU 0.9204
131 N7I 0.9203
132 8W9 0.9201
133 FQX 0.9200
134 1IT 0.9199
135 THA 0.9198
136 PEY 0.9197
137 9CA 0.9192
138 8WT 0.9192
139 20J 0.9188
140 ESX 0.9187
141 M5H 0.9182
142 WS7 0.9182
143 2KA 0.9181
144 94W 0.9180
145 4YO 0.9174
146 9FL 0.9173
147 30G 0.9172
148 Y3L 0.9171
149 DPT 0.9170
150 6NI 0.9169
151 ESP 0.9163
152 S0E 0.9162
153 JDN 0.9160
154 0HN 0.9160
155 CHQ 0.9159
156 CX6 0.9158
157 TIY 0.9157
158 EXD 0.9155
159 9UL 0.9153
160 GZ2 0.9151
161 OQC 0.9148
162 0HO 0.9146
163 ZEC 0.9145
164 X0U 0.9145
165 KDV 0.9144
166 KUF 0.9144
167 PQ0 0.9144
168 SKF 0.9143
169 GI3 0.9142
170 Q77 0.9140
171 JAW 0.9140
172 GF4 0.9138
173 BZ2 0.9137
174 BQ2 0.9135
175 J6W 0.9135
176 7I2 0.9134
177 363 0.9134
178 8XL 0.9128
179 8WO 0.9127
180 2ZM 0.9126
181 CWS 0.9126
182 3R4 0.9125
183 R9Y 0.9123
184 HRM 0.9123
185 TGX 0.9122
186 BPU 0.9122
187 2HQ 0.9119
188 1KP 0.9116
189 2GQ 0.9115
190 NDG 0.9114
191 5V7 0.9113
192 JB8 0.9111
193 NDD 0.9111
194 2HU 0.9107
195 NGA 0.9105
196 WS6 0.9103
197 3A9 0.9102
198 MNS 0.9101
199 3Z8 0.9100
200 ABI 0.9100
201 28N 0.9096
202 5LA 0.9096
203 TT4 0.9093
204 5NS 0.9093
205 A29 0.9090
206 F5C 0.9088
207 92P 0.9086
208 1QV 0.9085
209 A7H 0.9085
210 C9E 0.9085
211 1A7 0.9082
212 6NT 0.9081
213 IOS 0.9081
214 LZ2 0.9081
215 4I8 0.9081
216 XAZ 0.9081
217 2O6 0.9080
218 86J 0.9079
219 NPX 0.9078
220 AMR 0.9076
221 CWJ 0.9076
222 N2M 0.9075
223 VNL 0.9075
224 0P6 0.9075
225 5NE 0.9073
226 5NI 0.9072
227 AP4 0.9070
228 MSR 0.9069
229 QBK 0.9068
230 IAC 0.9067
231 QUS 0.9065
232 8CM 0.9063
233 AJY 0.9063
234 A2G 0.9062
235 2HC 0.9062
236 IL5 0.9059
237 2J1 0.9058
238 2QC 0.9056
239 209 0.9054
240 CFA 0.9054
241 X48 0.9053
242 5OO 0.9050
243 0W1 0.9049
244 JND 0.9049
245 2LY 0.9044
246 GO8 0.9042
247 5GT 0.9041
248 B61 0.9039
249 PRL 0.9036
250 ICB 0.9036
251 XM5 0.9034
252 15E 0.9032
253 EUE 0.9031
254 PMP 0.9028
255 X11 0.9028
256 5VL 0.9028
257 2JK 0.9027
258 PPY 0.9027
259 RH1 0.9027
260 2WU 0.9027
261 BK9 0.9027
262 JY4 0.9023
263 K25 0.9022
264 APZ 0.9022
265 TMG 0.9020
266 XCG 0.9019
267 1Z6 0.9018
268 YZM 0.9018
269 K3Q 0.9017
270 C2Y 0.9017
271 7PJ 0.9017
272 ROI 0.9016
273 KMY 0.9015
274 DX3 0.9015
275 0J4 0.9015
276 L22 0.9013
277 VC3 0.9013
278 774 0.9012
279 K68 0.9012
280 AY4 0.9011
281 2BG 0.9011
282 K44 0.9011
283 BA5 0.9010
284 X04 0.9006
285 AC2 0.9005
286 JTA 0.9005
287 4TU 0.9005
288 PJW 0.9004
289 1VK 0.9002
290 8Y7 0.9001
291 URC 0.8999
292 LL1 0.8998
293 3VQ 0.8997
294 E7S 0.8997
295 CKA 0.8995
296 M4E 0.8995
297 MUA 0.8995
298 ICO 0.8994
299 BBK 0.8993
300 3NY 0.8993
301 3XR 0.8989
302 TTY 0.8989
303 MOK 0.8986
304 KTJ 0.8985
305 SNU 0.8985
306 8TX 0.8985
307 DK1 0.8985
308 BHQ 0.8985
309 1ZC 0.8984
310 CPZ 0.8983
311 LUM 0.8983
312 5VU 0.8983
313 S98 0.8980
314 G14 0.8980
315 DNC 0.8979
316 MAJ 0.8978
317 GNV 0.8977
318 SNO 0.8977
319 9TF 0.8976
320 EN1 0.8972
321 505 0.8970
322 ST1 0.8970
323 A5E 0.8969
324 GI1 0.8968
325 F2W 0.8966
326 BTY 0.8966
327 878 0.8964
328 2EC 0.8963
329 N3W 0.8960
330 PLP 0.8959
331 2AK 0.8958
332 P0P 0.8958
333 1QP 0.8957
334 TSS 0.8956
335 7MX 0.8955
336 DDU 0.8954
337 BP7 0.8954
338 EVF 0.8950
339 3VS 0.8949
340 97T 0.8949
341 JU2 0.8949
342 KLK 0.8948
343 5RN 0.8946
344 P9E 0.8946
345 4NO 0.8943
346 P7Y 0.8941
347 BDP 0.8940
348 YE6 0.8940
349 4V2 0.8939
350 LFN 0.8939
351 ENO 0.8939
352 0J5 0.8938
353 39O 0.8937
354 TCR 0.8936
355 2FX 0.8934
356 6E8 0.8931
357 Q0K 0.8929
358 JAH 0.8928
359 INE 0.8925
360 XIY 0.8925
361 ALE 0.8924
362 B55 0.8924
363 0XT 0.8924
364 ZZA 0.8923
365 4ME 0.8922
366 AJG 0.8922
367 K7H 0.8919
368 QMS 0.8919
369 ITE 0.8918
370 5JL 0.8916
371 G6P 0.8916
372 NRA 0.8915
373 6X9 0.8915
374 G12 0.8914
375 UAN 0.8913
376 L1O 0.8912
377 22L 0.8912
378 6FZ 0.8912
379 IQZ 0.8911
380 GLP 0.8910
381 MXD 0.8909
382 0N7 0.8908
383 4VS 0.8907
384 LIP 0.8906
385 GCS 0.8906
386 TZF 0.8905
387 M6P 0.8905
388 ZME 0.8905
389 MUK 0.8903
390 I4D 0.8902
391 JYB 0.8902
392 4LW 0.8901
393 M2K 0.8901
394 MAQ 0.8901
395 92O 0.8900
396 75K 0.8900
397 EGR 0.8900
398 GXY 0.8898
399 PUE 0.8897
400 LDR 0.8896
401 DX2 0.8896
402 NID 0.8894
403 657 0.8894
404 X0W 0.8894
405 9AP 0.8893
406 TJM 0.8893
407 7B3 0.8893
408 GVY 0.8893
409 H7Y 0.8893
410 BZE 0.8892
411 J9Q 0.8891
412 JRO 0.8891
413 4R1 0.8891
414 6VD 0.8891
415 F40 0.8890
416 7FU 0.8889
417 36E 0.8887
418 E7Z 0.8887
419 B60 0.8887
420 KT7 0.8886
421 5AD 0.8885
422 5WT 0.8884
423 21D 0.8883
424 NLA 0.8881
425 TOF 0.8880
426 DPZ 0.8879
427 EAE 0.8878
428 GVG 0.8878
429 92G 0.8878
430 MUR 0.8878
431 HKD 0.8876
432 F4K 0.8875
433 ODK 0.8875
434 LNR 0.8874
435 1M2 0.8873
436 IV2 0.8873
437 ONR 0.8872
438 JXW 0.8872
439 MS9 0.8872
440 1L5 0.8872
441 INO 0.8871
442 H33 0.8871
443 5XC 0.8871
444 TTL 0.8869
445 7ME 0.8868
446 SRO 0.8867
447 4Z4 0.8867
448 E3X 0.8866
449 F4E 0.8865
450 YZ9 0.8865
451 7O4 0.8864
452 LQ2 0.8863
453 5OB 0.8862
454 IOP 0.8861
455 X0T 0.8861
456 0F9 0.8861
457 8IG 0.8860
458 SOR 0.8860
459 KYN 0.8860
460 BIK 0.8860
461 FBB 0.8859
462 3R6 0.8858
463 DEE 0.8858
464 I3E 0.8857
465 FER 0.8857
466 5JQ 0.8857
467 M6Z 0.8857
468 2PV 0.8856
469 795 0.8855
470 CXH 0.8855
471 J9T 0.8855
472 DIN 0.8854
473 H70 0.8854
474 RSV 0.8854
475 CNI 0.8852
476 II4 0.8852
477 IPD 0.8851
478 RVE 0.8851
479 DHB 0.8848
480 9BF 0.8847
481 7MW 0.8847
482 GJK 0.8846
483 PD2 0.8845
484 K2T 0.8844
485 LGT 0.8842
486 2PK 0.8842
487 KP2 0.8842
488 8D6 0.8842
489 SJK 0.8841
490 LO1 0.8841
491 XQK 0.8841
492 4NB 0.8840
493 JA5 0.8839
494 36Y 0.8839
495 RA7 0.8837
496 I3A 0.8836
497 C53 0.8836
498 9KZ 0.8834
499 JYT 0.8834
500 CIY 0.8834
501 1DR 0.8833
502 MRW 0.8833
503 BGC 0.8832
504 ODO 0.8831
505 9CE 0.8831
506 JGB 0.8830
507 0SY 0.8829
508 D9Z 0.8829
509 FHB 0.8828
510 RZH 0.8827
511 MFZ 0.8826
512 HQD 0.8826
513 0FN 0.8825
514 DXK 0.8824
515 NNO 0.8823
516 2P3 0.8822
517 HC4 0.8822
518 AH9 0.8821
519 CG 0.8821
520 LR8 0.8820
521 6RQ 0.8819
522 96U 0.8817
523 MPK 0.8816
524 BZ3 0.8815
525 L46 0.8815
526 NBG 0.8815
527 MFR 0.8811
528 AX3 0.8809
529 R6T 0.8808
530 ES5 0.8808
531 H4E 0.8807
532 2A9 0.8807
533 6BL 0.8807
534 Z5P 0.8806
535 4FE 0.8805
536 OCH 0.8805
537 GB4 0.8805
538 5QY 0.8803
539 OA3 0.8803
540 2UZ 0.8803
541 J9W 0.8801
542 64C 0.8801
543 JTH 0.8799
544 4FS 0.8799
545 R2P 0.8798
546 PDC 0.8798
547 CHB 0.8797
548 THM 0.8797
549 RNO 0.8797
550 78Y 0.8796
551 4NC 0.8796
552 A7W 0.8796
553 G3F 0.8795
554 H42 0.8794
555 IWT 0.8794
556 EMZ 0.8793
557 BGP 0.8792
558 JB5 0.8792
559 X8D 0.8791
560 JR2 0.8788
561 6L6 0.8788
562 7W1 0.8788
563 6HO 0.8785
564 2AQ 0.8785
565 12Q 0.8784
566 COU 0.8784
567 03V 0.8784
568 0BP 0.8784
569 GAL 0.8784
570 F9Y 0.8784
571 SKM 0.8783
572 4A3 0.8783
573 3HM 0.8783
574 6ZW 0.8783
575 XFE 0.8782
576 P81 0.8782
577 AZ9 0.8781
578 0UL 0.8780
579 VUP 0.8780
580 P4L 0.8780
581 F31 0.8780
582 8S0 0.8779
583 64E 0.8778
584 4MU 0.8777
585 HRD 0.8776
586 4HB 0.8775
587 4AN 0.8775
588 RM1 0.8774
589 4BZ 0.8773
590 JCZ 0.8773
591 M1Q 0.8773
592 Z21 0.8773
593 2D0 0.8772
594 DAH 0.8771
595 J5I 0.8770
596 I2E 0.8769
597 3PF 0.8769
598 GNY 0.8769
599 AQO 0.8767
600 M3F 0.8766
601 FZM 0.8766
602 NCT 0.8766
603 56D 0.8766
604 LDP 0.8766
605 5QX 0.8765
606 MYJ 0.8765
607 52C 0.8765
608 SYA 0.8764
609 LZB 0.8762
610 LT2 0.8762
611 5VM 0.8762
612 BNL 0.8762
613 4WL 0.8761
614 FDB 0.8761
615 3AE 0.8761
616 AJ1 0.8761
617 7VP 0.8761
618 TRP 0.8761
619 Q24 0.8760
620 M1Z 0.8760
621 GDE 0.8759
622 93K 0.8759
623 2HO 0.8758
624 YO5 0.8757
625 9KT 0.8757
626 5SJ 0.8757
627 K82 0.8757
628 FHC 0.8757
629 DUR 0.8756
630 D48 0.8754
631 0NX 0.8752
632 4HC 0.8752
633 39Z 0.8752
634 M6N 0.8752
635 DHC 0.8752
636 TYL 0.8752
637 LI6 0.8751
638 A5P 0.8751
639 GCU 0.8750
640 GLC 0.8747
641 OCZ 0.8747
642 S0D 0.8746
643 80G 0.8745
644 2D2 0.8745
645 4NP 0.8743
646 SE2 0.8742
647 JXK 0.8742
648 7WR 0.8742
649 D3G 0.8741
650 HQT 0.8741
651 5E5 0.8741
652 ST4 0.8740
653 5XL 0.8740
654 G3E 0.8739
655 MEW 0.8739
656 9TW 0.8739
657 AJ2 0.8738
658 FBF 0.8737
659 6R8 0.8737
660 F6P 0.8736
661 SWX 0.8736
662 RD4 0.8735
663 SKA 0.8734
664 A5H 0.8734
665 IS2 0.8733
666 AES 0.8732
667 C8O 0.8732
668 EST 0.8732
669 1P7 0.8732
670 HX4 0.8731
671 WV7 0.8731
672 M5K 0.8730
673 2F6 0.8730
674 IBM 0.8729
675 6HP 0.8729
676 CSN 0.8729
677 STT 0.8726
678 VGD 0.8726
679 P9P 0.8725
680 2D3 0.8725
681 3L1 0.8724
682 G1P 0.8724
683 EV2 0.8724
684 QBS 0.8723
685 4AA 0.8722
686 EQU 0.8720
687 MR1 0.8720
688 L5V 0.8719
689 36R 0.8718
690 PYQ 0.8717
691 IQ5 0.8717
692 M0W 0.8715
693 OSB 0.8715
694 MS0 0.8715
695 2J2 0.8715
696 LGC 0.8714
697 9NB 0.8712
698 XQ0 0.8711
699 AZM 0.8710
700 PXL 0.8709
701 EZL 0.8709
702 QBP 0.8708
703 EA1 0.8706
704 KJH 0.8706
705 J9N 0.8706
706 8XQ 0.8705
707 AP6 0.8704
708 IHB 0.8703
709 5TZ 0.8702
710 ANN 0.8702
711 HQJ 0.8702
712 YE7 0.8701
713 4FF 0.8700
714 ES2 0.8700
715 I7C 0.8700
716 PTS 0.8699
717 5WY 0.8699
718 LR5 0.8697
719 4V6 0.8697
720 QSB 0.8696
721 PNZ 0.8696
722 42A 0.8695
723 5GU 0.8694
724 CLW 0.8694
725 7MU 0.8693
726 NDM 0.8693
727 VK3 0.8692
728 4ZA 0.8691
729 833 0.8691
730 MPV 0.8690
731 EMO 0.8690
732 4M4 0.8689
733 EVA 0.8688
734 PIQ 0.8688
735 KJU 0.8687
736 4JT 0.8687
737 RXA 0.8687
738 692 0.8686
739 FLV 0.8686
740 VM1 0.8686
741 I6G 0.8686
742 V55 0.8686
743 RB2 0.8686
744 P1J 0.8685
745 DRL 0.8685
746 7VS 0.8685
747 PO6 0.8683
748 ET2 0.8682
749 GCB 0.8682
750 TQU 0.8680
751 WUB 0.8680
752 TZM 0.8679
753 XI7 0.8679
754 NQ 0.8678
755 36M 0.8677
756 KIB 0.8675
757 TYR 0.8675
758 K37 0.8675
759 1V3 0.8673
760 CTN 0.8672
761 SXS 0.8670
762 8G6 0.8670
763 069 0.8668
764 AZ8 0.8668
765 GZL 0.8668
766 4P5 0.8666
767 GTR 0.8665
768 NVU 0.8664
769 JXN 0.8664
770 CWM 0.8663
771 582 0.8663
772 B52 0.8663
773 K4V 0.8663
774 W81 0.8662
775 PRZ 0.8662
776 IPT 0.8661
777 226 0.8661
778 1P8 0.8660
779 CCV 0.8659
780 372 0.8657
781 M1H 0.8657
782 SYV 0.8656
783 6SD 0.8655
784 4NS 0.8655
785 37T 0.8654
786 Y0V 0.8654
787 5B1 0.8652
788 CTL 0.8652
789 DT7 0.8652
790 R20 0.8651
791 TIA 0.8651
792 TRU 0.8651
793 CFF 0.8648
794 M0Q 0.8645
795 55D 0.8644
796 HNQ 0.8644
797 173 0.8641
798 4MB 0.8641
799 KGK 0.8641
800 6P3 0.8640
801 QPR 0.8638
802 A6W 0.8638
803 BHA 0.8638
804 P80 0.8637
805 49O 0.8636
806 RHN 0.8635
807 FA0 0.8635
808 NPA 0.8633
809 7ZE 0.8632
810 QAS 0.8630
811 GTC 0.8630
812 4AU 0.8629
813 4A5 0.8629
814 KY3 0.8629
815 DHK 0.8628
816 X0V 0.8628
817 TCA 0.8628
818 LEL 0.8627
819 NDH 0.8626
820 B57 0.8626
821 96R 0.8625
822 Q7A 0.8624
823 5F5 0.8623
824 QBM 0.8618
825 IA2 0.8618
826 4SX 0.8616
827 LZM 0.8612
828 QAT 0.8611
829 9H2 0.8609
830 4NZ 0.8608
831 2B4 0.8608
832 293 0.8608
833 Q88 0.8608
834 2GS 0.8607
835 E5X 0.8606
836 QQQ 0.8605
837 B2E 0.8605
838 S0G 0.8604
839 3D8 0.8600
840 B0K 0.8599
841 S7J 0.8598
842 ZRK 0.8597
843 4XV 0.8594
844 1XA 0.8592
845 AMQ 0.8591
846 BY5 0.8589
847 3DM 0.8588
848 FGZ 0.8588
849 K32 0.8586
850 MWP 0.8584
851 4M0 0.8582
852 DOB 0.8582
853 ES0 0.8582
854 4CM 0.8580
855 SQP 0.8578
856 Q9T 0.8576
857 CP6 0.8575
858 M83 0.8571
859 SHG 0.8567
860 4Z1 0.8566
861 BPN 0.8566
862 ZVO 0.8565
863 3GQ 0.8564
864 PIY 0.8564
865 4B0 0.8562
866 NKI 0.8562
867 PIM 0.8562
868 TXQ 0.8561
869 5WV 0.8561
870 GM7 0.8560
871 8VR 0.8560
872 WLH 0.8560
873 A73 0.8559
874 QSH 0.8558
875 R8V 0.8558
876 DX1 0.8552
877 680 0.8551
878 FUD 0.8550
879 5VJ 0.8548
880 K22 0.8547
881 1X8 0.8546
882 OLU 0.8543
883 0W8 0.8542
884 ES7 0.8542
885 A1Y 0.8541
886 9LI 0.8541
887 A5Q 0.8541
888 1V1 0.8537
889 57O 0.8534
890 3IT 0.8525
891 32X 0.8522
892 19E 0.8520
893 4XS 0.8520
894 6DQ 0.8519
895 CUE 0.8507
896 3W8 0.8505
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 7KDR; Ligand: J1L; 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: 7kdr.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
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