Receptor
PDB id Resolution Class Description Source Keywords
4BDB 2.5 Å EC: 2.7.11.1 FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2) HOMO SAPIENS TRANSFERASE
Ref.: FRAGMENT-BASED SCREENING MAPS INHIBITOR INTERACTION ATP-BINDING SITE OF CHECKPOINT KINASE 2. PLOS ONE V. 8 65689 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1514;
A:1516;
A:1517;
A:1518;
A:1521;
A:1523;
A:1520;
A:1522;
A:1519;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ODO A:1515;
Valid;
none;
ic50 = 85.6 uM
167.162 C8 H9 N O3 C/C(=...
NO3 A:1513;
Invalid;
none;
submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XK9 2.35 Å EC: 2.7.11.1 STRUCTURAL ANALYSIS OF CHECKPOINT KINASE 2 (CHK2) IN COMPLEX INHIBITOR PV1533 HOMO SAPIENS STRUCTURE-BASED DRUG DESIGN TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF INHIBITOR COMPLEXES CHECKPOINT KINASE 2 (CHK2), A DRUG TARGET FOR CANCE THERAPY. J.STRUCT.BIOL. V. 176 292 2011
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 2YCQ ic50 = 0.14 nM UPX C20 H17 N7 O3 C/C(=NNc1[....
2 2W7X ic50 = 24 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
3 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
4 2YCF ic50 = 0.03 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
5 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
6 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
7 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
8 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
9 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
10 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
11 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
12 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
13 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
14 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
15 2XBJ ic50 = 0.003 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
16 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
17 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
18 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 2YCQ ic50 = 0.14 nM UPX C20 H17 N7 O3 C/C(=NNc1[....
2 2W7X ic50 = 24 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
3 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
4 2YCF ic50 = 0.03 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
5 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
6 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
7 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
8 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
9 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
10 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
11 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
12 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
13 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
14 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
15 2XBJ ic50 = 0.003 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
16 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
17 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
18 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (195)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 70 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 5OPU Ki = 0.053 uM A3K C15 H12 N4 Cc1cccc(c1....
3 5OP4 Ki = 0.194 uM A0T C19 H21 F4 N5 O3 CCNc1c(cnc....
4 2CGW ic50 = 17.3 uM 3C3 C9 H15 N9 O2 CCCn1c(nc(....
5 3F9N ic50 = 1.3 uM 38M C29 H35 Cl N4 O2 S CCCC[C@@H]....
6 4JIK ic50 = 0.018 uM 1KO C18 H19 Cl N6 O c1cc(ccc1c....
7 4QYH ic50 = 0.0013 uM 3DX C22 H20 N6 CN1CCN(CC1....
8 2BRB Ki = 13.7 uM PFQ C20 H17 N3 O2 c1ccc(cc1)....
9 3PA3 ic50 = 1 nM C70 C18 H18 Cl N5 O S c1cc(ccc1c....
10 5OQ6 Ki = 0.0277 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
11 6FCF ic50 = 0.006 uM D58 C20 H22 N4 O S C[C@@H]1[C....
12 2YER ic50 = 0.02 uM TQ1 C15 H12 N4 O2 c1cc([nH]c....
13 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
14 5OPB Ki = 0.0241 uM A1N C21 H25 N5 O2 C[C@@H]1CN....
15 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
16 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
17 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
18 4RVM ic50 = 1 nM 3X7 C23 H21 N5 c1cc(ccc1C....
19 5DLS ic50 = 4.4 nM 5CV C31 H34 N6 O3 CC(C)(CN(C....
20 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
21 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
22 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
23 5OPV Ki = 0.0515 uM A3H C19 H16 N6 Cc1cccc(c1....
24 5OOT Ki = 0.0285 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
25 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
26 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
27 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
28 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
29 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
30 2BRH ic50 = 22.9 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
31 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
32 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
33 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
34 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
35 4HYI ic50 = 3 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
36 4RVL ic50 = 41.7 nM 3XL C17 H10 N4 O c1ccc(c(c1....
37 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
38 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
39 1V1K ic50 = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
40 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
41 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
42 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
43 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
44 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
45 2UZO ic50 = 27 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
46 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
47 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
48 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
49 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
50 6Q4H - HGH C13 H11 N5 O3 c1cc(cc(c1....
51 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
52 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
53 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
54 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
55 1PXP Ki = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
56 6Q3C - BYZ C3 H3 Br N2 c1c(cn[nH]....
57 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
58 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
59 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
60 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
61 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
62 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
63 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
64 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
65 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
66 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
67 5LI9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
68 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
69 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
70 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
71 5H8G Kd = 48.2 pM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
72 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
73 6YPJ - P5W C16 H12 N2 O2 S c1ccc(cc1)....
74 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
75 6HOQ - FER C10 H10 O4 COc1cc(ccc....
76 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
77 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
78 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
79 6RCB ic50 = 0.33 uM JYZ C17 H14 N2 O4 COc1cc(ccc....
80 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
81 3BWJ Kd = 0.319 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
82 6SPS - LR5 C8 H6 F3 N O c1cc(ccc1C....
83 6SPM - 3AE C8 H5 F3 O2 c1cc(ccc1C....
84 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
85 6SNX - UNU C7 H7 N O c1ccc(cc1)....
86 6ZN0 - NTN C6 H7 N3 c1cnccc1C(....
87 6SNN - BEZ C7 H6 O2 c1ccc(cc1)....
88 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
89 1SZM ic50 = 2.94 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
90 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
91 6SPY - LR8 C10 H13 N3 O2 c1cc(ncc1C....
92 6Z08 - NPO C6 H5 N O3 c1cc(ccc1[....
93 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
94 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
95 6C2R Ki = 0.8 nM EG7 C24 H26 Cl F2 N5 O2 Cc1cc(n[nH....
96 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
97 5ORY Kd = 357 uM AY4 C9 H6 F2 N2 O c1c[nH]nc1....
98 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
99 6VPH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
100 5ORV Kd = 1297 uM A65 C6 H9 N O S3 CSc1c(c(sn....
101 5OS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
102 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
103 5OSF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
104 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
105 6CPF - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
106 6R4C - JRQ C16 H22 N2 O3 CCOC(=O)C[....
107 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
108 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
109 7A1Z ic50 = 3.38 uM QWN C5 H2 Br Cl N4 c1c2c(nc(c....
110 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
111 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
112 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
113 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
114 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
115 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
116 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
117 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
118 5AUY ic50 = 1.6 uM MRI C15 H10 O7 c1cc(c(cc1....
119 2HY0 ic50 = 0.65 nM 306 C26 H25 N5 O c1cc2c(cc1....
120 5LVO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
121 4XX9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
122 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
123 3QD4 ic50 = 6.31 nM 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
124 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
125 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
126 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
127 5ACK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
128 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
129 5LVM - ADE C5 H5 N5 c1[nH]c2c(....
130 5MRD ic50 = 36.4 uM S26 C18 H13 Cl N2 O4 S2 CCOC(=O)C1....
131 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
132 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
133 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
134 3QCS ic50 = 0.316 uM 3Q1 C15 H17 N7 O c1cc2c(cc1....
135 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
136 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
138 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
139 3QD3 ic50 = 0.00000001 M 3Q5 C22 H30 N8 O2 C[C@H]1CC[....
140 1OKY ic50 = 6.5 nM STU C28 H26 N4 O3 C[C@@]12[C....
141 3IOP ic50 = 17 nM 8I1 C28 H27 N5 O3 COc1cc2c3c....
142 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
143 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
144 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
145 3QCQ ic50 = 0.158 uM 3Q0 C13 H15 N7 CCNc1cc(nc....
146 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
147 2R5T - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
148 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
149 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
150 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
151 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
152 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
153 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
154 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
155 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
156 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
157 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
158 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
159 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
160 2W7X ic50 = 24 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
161 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
162 2YCF ic50 = 0.03 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
163 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
164 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
165 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
166 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
167 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
168 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
169 6CCY ic50 = 0.003 uM EX4 C29 H33 F4 N7 O C[C@@H]1CC....
170 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
171 6NPZ - GLY ARG PRO ARG THR THR ZXW PHE ALA GLU n/a n/a
172 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
173 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
174 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
175 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
176 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
177 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
178 5OTF - AQ5 C20 H24 N6 c1cnc2c(c1....
179 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
180 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
181 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
182 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
183 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
184 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
185 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
186 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
187 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
188 2F2U - M77 C14 H17 N3 O2 S c1cc2cnccc....
189 6C0T ic50 = 43.1 nM EE4 C30 H30 F N5 O5 CCCOc1ccc(....
190 6BXI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
191 5F9E ic50 = 0.46 nM 5VS C23 H21 N5 O2 CC1(NC(=O)....
192 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
193 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
194 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
195 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ODO; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ODO 1 1
2 TQL 0.46 0.763158
Similar Ligands (3D)
Ligand no: 1; Ligand: ODO; Similar ligands found: 1310
No: Ligand Similarity coefficient
1 MS9 0.9932
2 2FY 0.9822
3 FA0 0.9701
4 BHA 0.9681
5 5CU 0.9664
6 4M0 0.9664
7 DOB 0.9642
8 HDH 0.9639
9 5NU 0.9627
10 OTR 0.9601
11 CWJ 0.9552
12 5OB 0.9539
13 94W 0.9533
14 ES2 0.9527
15 VGD 0.9525
16 PHB 0.9522
17 2ZM 0.9516
18 IPB 0.9506
19 T9G 0.9500
20 QBK 0.9498
21 4TU 0.9498
22 ET2 0.9496
23 36R 0.9492
24 1P8 0.9491
25 IV2 0.9489
26 CLW 0.9487
27 3A9 0.9487
28 1F1 0.9482
29 NPO 0.9477
30 HBD 0.9475
31 JA8 0.9471
32 4FA 0.9471
33 PAB 0.9470
34 97T 0.9466
35 0HO 0.9463
36 ABI 0.9463
37 PBZ 0.9463
38 HHH 0.9462
39 5RN 0.9458
40 GZQ 0.9453
41 BTY 0.9451
42 HMH 0.9451
43 6NI 0.9450
44 6NT 0.9446
45 BZ3 0.9444
46 1Y6 0.9442
47 LNR 0.9442
48 TYL 0.9440
49 XAZ 0.9439
50 5NI 0.9438
51 FBB 0.9437
52 75K 0.9436
53 3NY 0.9436
54 52C 0.9436
55 EA1 0.9435
56 E7Z 0.9434
57 JAW 0.9432
58 2HU 0.9430
59 K2T 0.9428
60 I3A 0.9427
61 0HN 0.9426
62 ICO 0.9426
63 5VM 0.9424
64 FUD 0.9423
65 4P5 0.9423
66 URC 0.9422
67 SHA 0.9417
68 5JQ 0.9415
69 92P 0.9414
70 HC4 0.9411
71 N2Z 0.9409
72 5XC 0.9407
73 4AA 0.9405
74 SYV 0.9401
75 KJU 0.9400
76 5GU 0.9400
77 7HQ 0.9398
78 8TX 0.9391
79 6VD 0.9390
80 DHR 0.9389
81 B55 0.9388
82 ANN 0.9386
83 DHB 0.9383
84 4JQ 0.9383
85 C2Y 0.9381
86 4Z4 0.9380
87 YRL 0.9377
88 M0W 0.9376
89 4MA 0.9376
90 PNZ 0.9376
91 4YO 0.9374
92 HMU 0.9373
93 03V 0.9371
94 5JL 0.9370
95 ES5 0.9369
96 TTL 0.9369
97 COU 0.9368
98 MSR 0.9367
99 9R5 0.9366
100 MR1 0.9366
101 BCU 0.9365
102 JDN 0.9365
103 826 0.9362
104 P72 0.9362
105 OCH 0.9361
106 JB8 0.9359
107 4FS 0.9359
108 2HQ 0.9358
109 CPZ 0.9358
110 93K 0.9357
111 HLZ 0.9355
112 2AQ 0.9354
113 I3E 0.9354
114 7VS 0.9352
115 SW7 0.9350
116 2LY 0.9349
117 F9Y 0.9347
118 8WO 0.9342
119 AEF 0.9341
120 9FL 0.9340
121 F4E 0.9339
122 INO 0.9338
123 BHO 0.9338
124 BK9 0.9334
125 4NC 0.9334
126 15N 0.9332
127 8H8 0.9332
128 PRF 0.9332
129 86J 0.9330
130 LZM 0.9328
131 9CA 0.9328
132 H42 0.9328
133 FYU 0.9327
134 174 0.9326
135 6RQ 0.9326
136 D48 0.9324
137 OW4 0.9324
138 P9P 0.9324
139 GCU 0.9324
140 FP1 0.9323
141 PZI 0.9322
142 NNO 0.9321
143 8ZE 0.9321
144 J9W 0.9318
145 BGC 0.9318
146 M0Q 0.9317
147 NIZ 0.9317
148 NID 0.9315
149 Z82 0.9315
150 2BG 0.9314
151 N2I 0.9314
152 1IT 0.9312
153 NSP 0.9312
154 261 0.9311
155 ISZ 0.9310
156 MQN 0.9310
157 PEY 0.9310
158 AC6 0.9310
159 BE2 0.9309
160 3MB 0.9309
161 CFI 0.9309
162 L99 0.9309
163 J9Q 0.9308
164 J5I 0.9307
165 4HC 0.9307
166 9TW 0.9307
167 KDV 0.9306
168 I1E 0.9306
169 SAL 0.9305
170 7W1 0.9304
171 S24 0.9304
172 42A 0.9302
173 SN4 0.9302
174 NFM 0.9301
175 PRZ 0.9301
176 G3E 0.9300
177 SE2 0.9299
178 6KT 0.9298
179 92K 0.9296
180 TGX 0.9296
181 AMH 0.9293
182 3PF 0.9292
183 E1T 0.9291
184 AJ2 0.9290
185 APS 0.9288
186 KP6 0.9288
187 OVM 0.9287
188 KJH 0.9285
189 DHY 0.9284
190 XQ0 0.9283
191 M6N 0.9283
192 5QX 0.9283
193 HQD 0.9282
194 SNU 0.9282
195 12Q 0.9280
196 Q24 0.9280
197 AQO 0.9280
198 5QY 0.9278
199 TIU 0.9278
200 9ZE 0.9278
201 LDP 0.9275
202 AZ8 0.9274
203 4BZ 0.9274
204 24B 0.9273
205 Z5P 0.9272
206 R9S 0.9272
207 TH7 0.9270
208 MEW 0.9270
209 INE 0.9268
210 2HO 0.9266
211 DIN 0.9265
212 3SK 0.9265
213 M5K 0.9264
214 M2K 0.9264
215 BDP 0.9264
216 4SV 0.9263
217 CH9 0.9263
218 BZ2 0.9263
219 JKE 0.9262
220 JB5 0.9260
221 AZ9 0.9260
222 NQ 0.9259
223 B62 0.9259
224 8IG 0.9256
225 TSS 0.9255
226 CTL 0.9253
227 3U4 0.9252
228 5RO 0.9251
229 M1Q 0.9250
230 M1E 0.9249
231 BPN 0.9249
232 A7W 0.9248
233 1A7 0.9248
234 RXA 0.9246
235 XIY 0.9246
236 ES6 0.9245
237 0JD 0.9243
238 ZZT 0.9243
239 B57 0.9242
240 4NM 0.9240
241 0LH 0.9238
242 VK3 0.9238
243 A7H 0.9238
244 XX2 0.9237
245 535 0.9237
246 FHB 0.9236
247 YH7 0.9236
248 FBM 0.9233
249 3HM 0.9232
250 DQU 0.9232
251 PDC 0.9229
252 3ID 0.9228
253 GZL 0.9227
254 PE0 0.9226
255 NDH 0.9226
256 KYA 0.9225
257 2AK 0.9224
258 JBE 0.9223
259 E5X 0.9222
260 4A3 0.9221
261 JAE 0.9221
262 67N 0.9221
263 ESX 0.9221
264 0N7 0.9219
265 2AL 0.9218
266 JLZ 0.9217
267 FDR 0.9216
268 1KP 0.9216
269 36Y 0.9216
270 HHT 0.9216
271 OTW 0.9214
272 4ZA 0.9214
273 TTY 0.9214
274 CN0 0.9214
275 1WC 0.9211
276 GJP 0.9210
277 JRB 0.9210
278 1AL 0.9209
279 DMD 0.9209
280 CWS 0.9207
281 9DG 0.9207
282 A5E 0.9205
283 2FQ 0.9203
284 XAN 0.9203
285 XHP 0.9202
286 TZF 0.9202
287 PJW 0.9202
288 F60 0.9201
289 259 0.9200
290 4WL 0.9199
291 ICB 0.9199
292 2LP 0.9197
293 ASO 0.9197
294 C1M 0.9196
295 VNJ 0.9196
296 NVU 0.9195
297 YPN 0.9194
298 NOJ 0.9194
299 PD2 0.9193
300 MYJ 0.9192
301 FDB 0.9192
302 0TU 0.9192
303 MRW 0.9192
304 MUA 0.9191
305 GDE 0.9191
306 N8Y 0.9189
307 2KA 0.9189
308 6ME 0.9188
309 3DM 0.9188
310 44V 0.9188
311 7MU 0.9186
312 KUF 0.9185
313 1QP 0.9185
314 TSR 0.9184
315 ONR 0.9184
316 2K4 0.9184
317 PQ0 0.9184
318 R8S 0.9182
319 HA7 0.9181
320 1XM 0.9180
321 CFA 0.9180
322 4MU 0.9179
323 7ME 0.9179
324 5MI 0.9177
325 HBA 0.9177
326 4J8 0.9175
327 TSU 0.9174
328 4SX 0.9174
329 717 0.9174
330 SKM 0.9173
331 173 0.9173
332 GUN 0.9173
333 6FZ 0.9173
334 5H1 0.9172
335 HQT 0.9172
336 EN1 0.9172
337 J6W 0.9170
338 1M2 0.9169
339 OQC 0.9169
340 14O 0.9168
341 RM1 0.9168
342 141 0.9167
343 11S 0.9167
344 4ME 0.9166
345 DHK 0.9166
346 DBJ 0.9165
347 1HN 0.9165
348 A29 0.9164
349 0F9 0.9164
350 0P6 0.9161
351 8G0 0.9161
352 8CM 0.9160
353 7WV 0.9158
354 CLZ 0.9158
355 6AI 0.9155
356 DRG 0.9155
357 SAN 0.9155
358 1WD 0.9154
359 AZA 0.9153
360 FK1 0.9153
361 CHB 0.9153
362 7MX 0.9151
363 DRL 0.9151
364 SKA 0.9151
365 4RU 0.9151
366 H4N 0.9150
367 BEA 0.9150
368 F4K 0.9150
369 54G 0.9149
370 IP0 0.9149
371 3HA 0.9148
372 DIE 0.9147
373 IHB 0.9146
374 4VY 0.9146
375 5MB 0.9145
376 PFL 0.9145
377 M1H 0.9144
378 ES9 0.9141
379 QPR 0.9141
380 JZ4 0.9140
381 57O 0.9140
382 OW7 0.9139
383 6AP 0.9139
384 B53 0.9139
385 M4E 0.9138
386 X0V 0.9138
387 PXL 0.9138
388 5M0 0.9137
389 44W 0.9137
390 HNH 0.9136
391 6M9 0.9134
392 RBL 0.9133
393 GJZ 0.9133
394 GLC 0.9133
395 GTQ 0.9132
396 8OZ 0.9132
397 MAJ 0.9131
398 A2F 0.9130
399 BZX 0.9129
400 HNK 0.9128
401 GVG 0.9128
402 BOA 0.9127
403 0FO 0.9127
404 3R6 0.9127
405 PH2 0.9127
406 4I8 0.9127
407 UNJ 0.9127
408 PHU 0.9126
409 MVN 0.9126
410 AEG 0.9126
411 F9P 0.9126
412 23J 0.9125
413 FCR 0.9125
414 M1A 0.9124
415 XQG 0.9124
416 KOJ 0.9124
417 4HP 0.9123
418 FE DB1 0.9122
419 PH3 0.9121
420 EVA 0.9121
421 2F6 0.9120
422 MQB 0.9120
423 VNL 0.9119
424 XUL 0.9118
425 IFL 0.9118
426 4HM 0.9118
427 AZG 0.9118
428 82I 0.9117
429 ROR 0.9117
430 2A9 0.9116
431 0FN 0.9116
432 5RG 0.9115
433 AMS 0.9115
434 AA 0.9114
435 RNS 0.9112
436 42J 0.9111
437 ASC 0.9110
438 MNM 0.9109
439 MO8 0.9109
440 QWN 0.9108
441 Q6T 0.9106
442 27B 0.9106
443 XM0 0.9106
444 4JT 0.9105
445 OMD 0.9105
446 G3F 0.9104
447 E7S 0.9100
448 1P7 0.9100
449 KMY 0.9100
450 IAC 0.9099
451 37T 0.9098
452 RAT 0.9097
453 FBS 0.9097
454 OVP 0.9095
455 M5H 0.9095
456 6GU 0.9095
457 3OC 0.9094
458 7B4 0.9091
459 5WY 0.9090
460 THA 0.9090
461 5WV 0.9090
462 DNF 0.9090
463 8NY 0.9090
464 7ZE 0.9089
465 QX4 0.9089
466 UAN 0.9088
467 069 0.9087
468 5MK 0.9086
469 BSX 0.9085
470 NAG 0.9083
471 9TZ 0.9082
472 2BX 0.9082
473 AAS 0.9081
474 ANF 0.9079
475 86L 0.9079
476 92G 0.9079
477 LCN 0.9078
478 7N0 0.9077
479 15E 0.9077
480 PHE 0.9077
481 2HC 0.9076
482 PRY 0.9076
483 QXW 0.9075
484 RD4 0.9075
485 FBV 0.9075
486 SNO 0.9074
487 DBH 0.9074
488 C2B 0.9074
489 ADA 0.9073
490 0CU 0.9072
491 IGA 0.9072
492 30G 0.9072
493 BZJ 0.9072
494 2ZQ 0.9071
495 H4E 0.9069
496 HNL 0.9068
497 3DO 0.9067
498 1DW 0.9067
499 5LA 0.9067
500 RNT 0.9066
501 GAB 0.9066
502 QSB 0.9066
503 15L 0.9066
504 4JM 0.9066
505 L14 0.9066
506 PZM 0.9064
507 49O 0.9064
508 GCS 0.9064
509 6M4 0.9063
510 9FE 0.9063
511 PBA 0.9062
512 F1A 0.9061
513 SOE 0.9060
514 AL0 0.9058
515 FEH 0.9058
516 KIB 0.9057
517 KIA 0.9057
518 JU2 0.9057
519 EYV 0.9057
520 DS0 0.9056
521 4NB 0.9056
522 SMN 0.9056
523 GCB 0.9056
524 GAL 0.9055
525 K82 0.9054
526 TT4 0.9053
527 2D0 0.9052
528 DEW 0.9052
529 7VP 0.9052
530 5B1 0.9051
531 42C 0.9051
532 EKZ 0.9051
533 FQI 0.9051
534 KT7 0.9050
535 F69 0.9050
536 SVN 0.9049
537 DX4 0.9048
538 4FH 0.9048
539 SX1 0.9047
540 KKN 0.9046
541 DE5 0.9046
542 GTR 0.9045
543 DDU 0.9044
544 4VP 0.9044
545 KTJ 0.9044
546 3C4 0.9043
547 ZXD 0.9042
548 1LN 0.9041
549 12T 0.9040
550 N3W 0.9040
551 NSG 0.9039
552 GNL 0.9039
553 ABV 0.9038
554 8W9 0.9038
555 6M1 0.9037
556 LPK 0.9037
557 HHR 0.9037
558 5XB 0.9037
559 GRE 0.9035
560 3F0 0.9035
561 F52 0.9035
562 ES7 0.9034
563 E1P 0.9034
564 LQ2 0.9034
565 RBJ 0.9033
566 AJV 0.9032
567 HQJ 0.9032
568 209 0.9031
569 4XR 0.9031
570 SBK 0.9030
571 3M0 0.9030
572 HDL 0.9029
573 HHA 0.9029
574 HA5 0.9028
575 GLO 0.9027
576 RNO 0.9026
577 PSJ 0.9026
578 0RW 0.9026
579 FB1 0.9026
580 1NP 0.9025
581 CFP 0.9025
582 M4S 0.9025
583 MPK 0.9024
584 F12 0.9023
585 3BU 0.9023
586 ISN 0.9023
587 428 0.9023
588 290 0.9023
589 LYL 0.9021
590 7FF 0.9021
591 DYA 0.9021
592 QUS 0.9019
593 J9N 0.9019
594 BCP 0.9019
595 BNL 0.9019
596 B2Y 0.9019
597 4BL 0.9018
598 4KL 0.9018
599 OVV 0.9018
600 ALE 0.9017
601 XDE 0.9017
602 7NI 0.9016
603 PYQ 0.9016
604 BNF 0.9016
605 0FK 0.9015
606 NCT 0.9011
607 ZYR 0.9010
608 39O 0.9010
609 2QC 0.9010
610 PKU 0.9009
611 AN3 0.9009
612 TAG 0.9009
613 F05 0.9006
614 X0U 0.9006
615 3AB 0.9004
616 GF4 0.9004
617 680 0.9003
618 FGZ 0.9003
619 3NT 0.9002
620 5NE 0.9002
621 ESP 0.9002
622 SRO 0.9001
623 4BY 0.9001
624 2EC 0.9001
625 2MI 0.8999
626 OGA 0.8999
627 BEZ 0.8997
628 AJY 0.8996
629 PXM 0.8996
630 PAC 0.8995
631 IFP 0.8994
632 I6G 0.8993
633 6F0 0.8993
634 K22 0.8993
635 3HB 0.8992
636 MNN 0.8992
637 NOY 0.8992
638 KJY 0.8992
639 BEN 0.8991
640 JBK 0.8991
641 270 0.8991
642 7W4 0.8991
643 F31 0.8990
644 OHP 0.8989
645 HIO 0.8989
646 1DJ 0.8989
647 CWM 0.8989
648 MXN 0.8989
649 KBZ 0.8989
650 3Z8 0.8988
651 CKA 0.8987
652 5WZ 0.8987
653 IWT 0.8987
654 VXX 0.8986
655 TOF 0.8986
656 JTH 0.8986
657 8S0 0.8986
658 ES0 0.8985
659 AX7 0.8985
660 61M 0.8984
661 HX3 0.8984
662 DEE 0.8983
663 PPT 0.8982
664 NGA 0.8982
665 0BP 0.8981
666 36E 0.8980
667 EPR 0.8980
668 36M 0.8979
669 3BZ 0.8979
670 ALL 0.8979
671 AHR 0.8979
672 GUA 0.8979
673 BAM 0.8978
674 PIM 0.8976
675 4JC 0.8976
676 54Z 0.8975
677 ADZ 0.8975
678 XYL 0.8973
679 8HC 0.8973
680 GV9 0.8973
681 RB5 0.8973
682 WCE 0.8973
683 TWO 0.8972
684 23A 0.8972
685 LGC 0.8972
686 1L5 0.8972
687 1LQ 0.8971
688 60Q 0.8971
689 ESI 0.8971
690 M3H 0.8970
691 QBS 0.8970
692 NCA 0.8968
693 AKG 0.8968
694 46P 0.8967
695 3QV 0.8966
696 H5B 0.8965
697 PQK 0.8965
698 FBA 0.8965
699 X0W 0.8964
700 CTS 0.8964
701 LT2 0.8964
702 5HN 0.8963
703 Q88 0.8963
704 R9Y 0.8961
705 K32 0.8961
706 3ZB 0.8961
707 EV0 0.8960
708 PIY 0.8960
709 RUY 0.8959
710 N5J 0.8958
711 EOL 0.8958
712 3IT 0.8957
713 TYE 0.8956
714 4JL 0.8956
715 4AV 0.8955
716 D07 0.8955
717 G2F 0.8955
718 TLA 0.8955
719 HLR 0.8954
720 3R4 0.8954
721 QSH 0.8954
722 NIO 0.8953
723 PBC 0.8951
724 CXF 0.8951
725 GYE 0.8951
726 9EW 0.8950
727 HIS 0.8950
728 9MG 0.8950
729 FTV 0.8950
730 JPZ 0.8948
731 1SQ 0.8948
732 JND 0.8948
733 RHU 0.8948
734 53C 0.8948
735 UNU 0.8947
736 W81 0.8947
737 SAF 0.8947
738 GOJ 0.8944
739 505 0.8944
740 TYR 0.8944
741 7WG 0.8944
742 JF6 0.8944
743 REL 0.8942
744 FHC 0.8942
745 8MO 0.8942
746 S0E 0.8941
747 MAQ 0.8940
748 DJN 0.8939
749 FLC 0.8939
750 P9E 0.8937
751 268 0.8936
752 V55 0.8936
753 H33 0.8936
754 APZ 0.8936
755 G5V 0.8934
756 CIT 0.8934
757 UEG 0.8934
758 B60 0.8933
759 2ZV 0.8933
760 AKH 0.8933
761 6PC 0.8933
762 8XL 0.8933
763 PZA 0.8933
764 FAN 0.8932
765 9UL 0.8931
766 DGJ 0.8931
767 L13 0.8930
768 2CL 0.8929
769 NGT 0.8928
770 GXY 0.8927
771 NLA 0.8925
772 NTN 0.8924
773 OA3 0.8923
774 MLT 0.8923
775 FA1 0.8923
776 LT8 0.8922
777 VOH 0.8921
778 DHC 0.8921
779 LDR 0.8920
780 F81 0.8920
781 CEE 0.8920
782 9AP 0.8919
783 PO6 0.8918
784 5WX 0.8918
785 AAN 0.8918
786 H62 0.8916
787 X05 0.8916
788 4XV 0.8916
789 SRT 0.8916
790 PQZ 0.8915
791 SYA 0.8915
792 JG8 0.8914
793 6TZ 0.8914
794 GLA 0.8914
795 OAA 0.8914
796 Q02 0.8914
797 8NX 0.8913
798 GO2 0.8913
799 DFB 0.8913
800 BPY 0.8912
801 DNA 0.8912
802 K34 0.8912
803 IOS 0.8911
804 JZ3 0.8911
805 BRT 0.8909
806 4XS 0.8909
807 ASP 0.8909
808 5IQ 0.8907
809 L5V 0.8907
810 PEL 0.8907
811 9KT 0.8906
812 M4T 0.8906
813 5WU 0.8906
814 OK7 0.8905
815 BPW 0.8905
816 QY9 0.8905
817 1XA 0.8905
818 4XH 0.8903
819 2CK 0.8903
820 A7N 0.8902
821 7B3 0.8902
822 FBT 0.8902
823 S7J 0.8902
824 LI6 0.8900
825 DBX 0.8900
826 2HG 0.8900
827 C53 0.8899
828 R20 0.8898
829 AC0 0.8897
830 PPY 0.8897
831 449 0.8896
832 PEA 0.8895
833 3FH 0.8894
834 NBZ 0.8894
835 GRO 0.8892
836 SOR 0.8892
837 DVQ 0.8892
838 ST3 0.8891
839 TXW 0.8891
840 BE7 0.8890
841 226 0.8890
842 5SG 0.8889
843 NGO 0.8889
844 GJS 0.8888
845 HH5 0.8887
846 948 0.8887
847 MAH 0.8886
848 J9T 0.8884
849 0GZ 0.8883
850 NYL 0.8881
851 HLD 0.8881
852 F0J 0.8881
853 SWA 0.8881
854 VGL 0.8880
855 0W8 0.8878
856 COI 0.8877
857 BQ2 0.8876
858 MPV 0.8876
859 TPA 0.8876
860 3MG 0.8875
861 1LM 0.8875
862 363 0.8874
863 RSO 0.8874
864 GM7 0.8873
865 AHC 0.8872
866 ST2 0.8872
867 EYK 0.8872
868 GWM 0.8872
869 TBS 0.8871
870 K5W 0.8871
871 AOT 0.8871
872 IF7 0.8870
873 NGW 0.8870
874 EMZ 0.8869
875 60P 0.8869
876 JFJ 0.8868
877 HPP 0.8867
878 8WT 0.8867
879 ZZ8 0.8867
880 6ZX 0.8867
881 NCD 0.8867
882 AP4 0.8866
883 TEP 0.8866
884 FLV 0.8866
885 ZON 0.8866
886 P92 0.8866
887 X6X 0.8866
888 091 0.8866
889 QUZ 0.8865
890 SJ5 0.8865
891 GC3 0.8865
892 BMA 0.8864
893 1VK 0.8863
894 MNP 0.8862
895 NK 0.8862
896 K4V 0.8861
897 K17 0.8861
898 54X 0.8861
899 EUG 0.8860
900 KBB 0.8858
901 NPY 0.8858
902 A2G 0.8858
903 PRA 0.8858
904 BBK 0.8858
905 6CS 0.8857
906 RMN 0.8857
907 14J 0.8857
908 DNC 0.8856
909 GNM 0.8856
910 KDG 0.8855
911 M58 0.8855
912 8GK 0.8855
913 NMJ 0.8854
914 NOK 0.8854
915 9PY 0.8853
916 5NS 0.8850
917 80G 0.8850
918 MD6 0.8849
919 5OO 0.8849
920 GSY 0.8848
921 BPU 0.8848
922 EVF 0.8848
923 UFV 0.8847
924 2O6 0.8846
925 AX3 0.8846
926 CS2 0.8845
927 7MW 0.8845
928 9RW 0.8844
929 MTL 0.8844
930 HY1 0.8843
931 NDG 0.8843
932 S8V 0.8842
933 7WR 0.8841
934 GXL 0.8841
935 XBT 0.8840
936 R8A 0.8840
937 LMR 0.8839
938 8U3 0.8839
939 SDF 0.8838
940 II6 0.8837
941 EUE 0.8837
942 DHS 0.8837
943 GLU 0.8835
944 FOC 0.8834
945 SHG 0.8833
946 2H5 0.8833
947 H7Y 0.8832
948 X09 0.8831
949 KMH 0.8831
950 HHS 0.8831
951 HWD 0.8830
952 2FT 0.8830
953 SKF 0.8830
954 24W 0.8829
955 P7Y 0.8828
956 GDL 0.8828
957 XLS 0.8827
958 258 0.8827
959 XRG 0.8825
960 BNS 0.8825
961 APG 0.8825
962 YCP 0.8825
963 41K 0.8825
964 20J 0.8824
965 0R0 0.8823
966 SVD 0.8821
967 4YS 0.8821
968 QAS 0.8821
969 IFM 0.8820
970 8NB 0.8820
971 AEH 0.8820
972 AMR 0.8820
973 344 0.8818
974 0XT 0.8818
975 MAN 0.8817
976 ES1 0.8817
977 YQA 0.8817
978 TVP 0.8816
979 AES 0.8816
980 FA3 0.8816
981 JXN 0.8815
982 4CS 0.8815
983 H8N 0.8815
984 K2P 0.8813
985 FBF 0.8813
986 MT5 0.8812
987 M45 0.8811
988 EGR 0.8810
989 SR1 0.8810
990 SD4 0.8810
991 DHQ 0.8809
992 UFO 0.8809
993 QAT 0.8809
994 GCO 0.8808
995 CFF 0.8807
996 TZE 0.8807
997 68A 0.8807
998 1SA 0.8806
999 WOO 0.8805
1000 6HO 0.8804
1001 A65 0.8804
1002 FOT 0.8803
1003 DX3 0.8802
1004 2FG 0.8801
1005 DTY 0.8801
1006 GZ8 0.8801
1007 V1T 0.8801
1008 CK2 0.8801
1009 HKD 0.8801
1010 DQA 0.8801
1011 3HG 0.8800
1012 1Z6 0.8800
1013 149 0.8799
1014 PFB 0.8799
1015 264 0.8798
1016 JYT 0.8798
1017 HQ9 0.8798
1018 HSO 0.8797
1019 5GT 0.8797
1020 QMP 0.8795
1021 GAF 0.8794
1022 4NZ 0.8794
1023 32X 0.8793
1024 PFF 0.8792
1025 1GN 0.8792
1026 SS1 0.8791
1027 EXD 0.8791
1028 28N 0.8790
1029 QBM 0.8790
1030 KTA 0.8789
1031 HX4 0.8789
1032 I2E 0.8788
1033 A3M 0.8786
1034 HH8 0.8784
1035 B85 0.8784
1036 51R 0.8783
1037 XDK 0.8783
1038 5Q0 0.8782
1039 IJZ 0.8782
1040 YIO 0.8781
1041 39U 0.8779
1042 286 0.8778
1043 Q71 0.8778
1044 S2P 0.8778
1045 FK8 0.8777
1046 ASN 0.8776
1047 MP5 0.8776
1048 2CZ 0.8776
1049 9LI 0.8775
1050 L46 0.8774
1051 GT0 0.8774
1052 LZ2 0.8774
1053 PEZ 0.8774
1054 FH2 0.8771
1055 8GC 0.8770
1056 2K8 0.8770
1057 GLN 0.8770
1058 MHK 0.8769
1059 HQY 0.8769
1060 3AE 0.8769
1061 5TY 0.8768
1062 2GS 0.8766
1063 6BL 0.8766
1064 EHM 0.8765
1065 GLT 0.8764
1066 XX3 0.8763
1067 1FD 0.8763
1068 QSC 0.8763
1069 293 0.8763
1070 RIB 0.8762
1071 GCW 0.8762
1072 QIC 0.8760
1073 495 0.8759
1074 ATX 0.8759
1075 3VX 0.8759
1076 STX 0.8758
1077 SIF 0.8758
1078 PA1 0.8757
1079 XYP 0.8756
1080 BDF 0.8755
1081 7O4 0.8755
1082 88L 0.8754
1083 HPS 0.8751
1084 M6Z 0.8751
1085 S2G 0.8750
1086 6FB 0.8749
1087 DMJ 0.8748
1088 LLH 0.8747
1089 LR5 0.8747
1090 XEN 0.8747
1091 HNQ 0.8746
1092 HPA 0.8746
1093 MIG 0.8745
1094 R8V 0.8744
1095 6DP 0.8744
1096 IPZ 0.8743
1097 OXZ 0.8742
1098 SME 0.8742
1099 DA4 0.8741
1100 56D 0.8738
1101 BP7 0.8737
1102 MWP 0.8737
1103 MBG 0.8734
1104 CXH 0.8734
1105 ENO 0.8734
1106 TAR 0.8733
1107 M44 0.8733
1108 C2U 0.8731
1109 UA5 0.8731
1110 UNC 0.8731
1111 OHJ 0.8729
1112 FBW 0.8729
1113 SR4 0.8729
1114 L22 0.8729
1115 N4E 0.8728
1116 PMB 0.8728
1117 ZZZ 0.8727
1118 AIN 0.8727
1119 MS0 0.8726
1120 F06 0.8726
1121 6QF 0.8726
1122 ADE 0.8725
1123 NDM 0.8725
1124 HXX 0.8725
1125 ZZ3 0.8721
1126 ROI 0.8721
1127 ORO 0.8721
1128 A9P 0.8721
1129 4LV 0.8720
1130 AFR 0.8719
1131 6XI 0.8719
1132 DIU 0.8718
1133 HJ7 0.8718
1134 SQ4 0.8718
1135 G4D 0.8718
1136 GIV 0.8717
1137 FIX 0.8716
1138 GLF 0.8714
1139 DII 0.8714
1140 DPN 0.8713
1141 67X 0.8713
1142 JP2 0.8713
1143 PEP 0.8713
1144 3WA 0.8713
1145 XXG 0.8712
1146 TZL 0.8712
1147 AY4 0.8711
1148 0NX 0.8711
1149 B5D 0.8710
1150 GAG 0.8710
1151 KTW 0.8710
1152 LSA 0.8709
1153 XCZ 0.8708
1154 MZB 0.8705
1155 NTM 0.8705
1156 3XR 0.8704
1157 BTE 0.8703
1158 FB2 0.8703
1159 LKA 0.8703
1160 JBQ 0.8702
1161 0W1 0.8702
1162 4V2 0.8701
1163 JZ1 0.8701
1164 4BF 0.8700
1165 ICT 0.8699
1166 JF1 0.8699
1167 SEP 0.8698
1168 M5E 0.8695
1169 1DV 0.8695
1170 HBO 0.8695
1171 3AL 0.8695
1172 SS2 0.8694
1173 AZM 0.8693
1174 SYM 0.8690
1175 YZM 0.8690
1176 GBD 0.8690
1177 4NS 0.8689
1178 2SX 0.8689
1179 LAO 0.8688
1180 329 0.8688
1181 ARP 0.8688
1182 5AC 0.8687
1183 263 0.8687
1184 9FH 0.8686
1185 HJP 0.8685
1186 TMG 0.8685
1187 2PG 0.8683
1188 KBG 0.8680
1189 3QM 0.8677
1190 Z13 0.8676
1191 SWX 0.8673
1192 QMS 0.8672
1193 IT2 0.8671
1194 XCG 0.8669
1195 JYB 0.8668
1196 D1X 0.8667
1197 HCI 0.8667
1198 GVY 0.8666
1199 E1K 0.8666
1200 9SE 0.8664
1201 3VS 0.8664
1202 FDK 0.8663
1203 657 0.8662
1204 KYD 0.8662
1205 DOR 0.8661
1206 1XN 0.8661
1207 3HP 0.8659
1208 CCV 0.8657
1209 H6B 0.8657
1210 XIZ 0.8657
1211 KGK 0.8656
1212 152 0.8654
1213 R2P 0.8653
1214 JAH 0.8653
1215 P81 0.8653
1216 VM1 0.8652
1217 J01 0.8652
1218 L7T 0.8650
1219 TCA 0.8650
1220 FWD 0.8649
1221 GIF 0.8649
1222 E0O 0.8648
1223 ZBT 0.8648
1224 3W8 0.8647
1225 K7M 0.8647
1226 AZF 0.8647
1227 QIV 0.8647
1228 50C 0.8647
1229 EV3 0.8645
1230 SLS 0.8645
1231 X48 0.8644
1232 B4O 0.8644
1233 34D 0.8642
1234 B40 0.8641
1235 7HP 0.8641
1236 XXP 0.8641
1237 E4P 0.8637
1238 URS 0.8636
1239 HNT 0.8634
1240 ILE 0.8633
1241 SC2 0.8633
1242 8K2 0.8631
1243 O72 0.8630
1244 DGN 0.8627
1245 OXC 0.8625
1246 MZM 0.8623
1247 OXQ 0.8623
1248 AGK 0.8620
1249 IQ5 0.8620
1250 DGL 0.8620
1251 SQ7 0.8619
1252 7VJ 0.8618
1253 SXS 0.8617
1254 AM4 0.8617
1255 TDR 0.8617
1256 6J9 0.8616
1257 4P0 0.8616
1258 4VS 0.8615
1259 FF2 0.8614
1260 GOG 0.8614
1261 OTD 0.8613
1262 CXP 0.8607
1263 M3Q 0.8604
1264 GZ3 0.8604
1265 3GQ 0.8604
1266 ICF 0.8596
1267 MZW 0.8596
1268 TH0 0.8595
1269 4JO 0.8594
1270 R1P 0.8594
1271 XQI 0.8593
1272 FZM 0.8593
1273 S7G 0.8593
1274 A09 0.8592
1275 2IT 0.8591
1276 GGL 0.8591
1277 7MK 0.8591
1278 E35 0.8590
1279 8XQ 0.8590
1280 4LW 0.8589
1281 PYD 0.8588
1282 P3K 0.8587
1283 LYS 0.8583
1284 1U6 0.8580
1285 3V4 0.8578
1286 43M 0.8578
1287 4CM 0.8578
1288 95Z 0.8578
1289 IWD 0.8577
1290 G14 0.8574
1291 IUP 0.8574
1292 I4B 0.8573
1293 R2B 0.8571
1294 NPA 0.8566
1295 SFU 0.8565
1296 YI6 0.8565
1297 YIE 0.8561
1298 3YP 0.8561
1299 CSN 0.8559
1300 MEV 0.8558
1301 PCA 0.8552
1302 CWD 0.8551
1303 C2A 0.8548
1304 L03 0.8545
1305 AW5 0.8540
1306 T6C 0.8535
1307 HNM 0.8528
1308 WBU 0.8526
1309 NK2 0.8526
1310 C82 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XK9; Ligand: XK9; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 2xk9.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 6JUX C9U 29.4314
2 4FL3 ANP 31.3665
3 5T8O 76Z 31.677
4 2H8H H8H 34.472
5 5MJA 7O3 34.7541
6 5CEO 50D 36.3333
7 3ALN ANP 37.8882
8 3SRV S19 38.2671
9 2BDJ HET 40.8602
10 4H3P ANP 43.4783
11 6FYV 3NG 43.4783
12 6FYL 3NG 44.0994
13 4CFU 2WC 45.5446
14 3SXS PP2 46.2687
15 4UX9 ANP 46.2733
16 3BU5 ATP 46.6667
Pocket No.: 2; Query (leader) PDB : 2XK9; Ligand: XK9; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xk9.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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