Receptor
PDB id Resolution Class Description Source Keywords
4APP 2.2 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH (S)-N-(5-(3-BENZYL-1-METHYLPIPERAZINE-4- C ARBONYL)-6,6-DIMETHYL-1,4,5,6-TETRAHYDROPYRROLO(3,4-C) PY RAZOL-3-YL)-3-PHENOXYBENZAMIDE HOMO SAPIENS TRANSFERASE PROTEIN KINASE
Ref.: DISCOVERY OF PYRROLOAMINOPYRAZOLES AS NOVEL PAK INH J.MED.CHEM. V. 55 4728 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:602;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
N53 A:601;
Valid;
none;
Ki = 0.064 uM
564.677 C33 H36 N6 O3 CC1(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X4Z 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH PF-03758309 HOMO SAPIENS TRANSFERASE NUCLEOTIDE-BINDING ATP-BINDING PHOSPHOPROTEIN
Ref.: SMALL-MOLECULE P21-ACTIVATED KINASE INHIBITOR PF- 3 A POTENT INHIBITOR OF ONCOGENIC SIGNALING AND TUMOR PROC.NATL.ACAD.SCI.USA V. 107 9446 2010
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
2 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
3 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
4 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
5 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
6 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
2 4KS8 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
3 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
4 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
5 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
6 2F57 - 23D C19 H24 Cl N7 CCn1cnc2c1....
7 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
8 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
9 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
10 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
11 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
12 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
13 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
14 5DFP Ki = 22 nM 59U C28 H32 Cl N7 O CCN1c2c(cn....
15 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
16 4ZLO ic50 = 54 uM 4PV C18 H18 F2 N4 CN1CCN(CC1....
17 4ZJI Kd = 340 nM 4OQ C20 H22 Cl F N4 CCN1c2ccc(....
18 5DEY Ki = 3.7 nM 59T C25 H25 Cl N6 O3 Cc1cccc(n1....
19 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
20 4ZY5 Ki = 26 nM 4T5 C17 H25 N7 c1cnc(nc1N....
50% Homology Family (492)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
2 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
3 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
4 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
5 4RVM ic50 = 1 nM 3X7 C23 H21 N5 c1cc(ccc1C....
6 5DLS ic50 = 4.4 nM 5CV C31 H34 N6 O3 CC(C)(CN(C....
7 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
8 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
9 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
10 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
11 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
12 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
13 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
14 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
15 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
16 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
17 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
18 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
19 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
20 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
21 4RVL ic50 = 41.7 nM 3XL C17 H10 N4 O c1ccc(c(c1....
22 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
23 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
24 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
25 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
26 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
27 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
28 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
29 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
30 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
31 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
32 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
33 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
34 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
35 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
36 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
37 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
38 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
39 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
40 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
41 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
42 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
43 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
44 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
45 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
46 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
47 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
48 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
49 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
50 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
51 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
52 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
53 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
54 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
55 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
56 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
57 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
58 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
59 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
60 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
61 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
62 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
63 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
64 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
65 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
66 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
67 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
68 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
69 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
70 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
71 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
72 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
73 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
74 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
75 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
76 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
77 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
78 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
79 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
80 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
81 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
82 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
83 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
84 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
85 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
86 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
87 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
88 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
89 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
90 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
91 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
92 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
93 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
94 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
95 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
96 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
97 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
98 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
99 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
100 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
101 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
102 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
103 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
104 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
105 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
106 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
107 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
108 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
109 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
110 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
111 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
112 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
113 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
114 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
115 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
116 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
117 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
118 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
119 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
120 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
121 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
122 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
123 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
124 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
125 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
126 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
127 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
128 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
129 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
130 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
131 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
132 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
133 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
134 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
135 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
136 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
137 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
138 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
139 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
140 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
141 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
142 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
143 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
144 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
145 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
146 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
147 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
148 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
149 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
150 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
151 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
152 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
153 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
154 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
155 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
156 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
157 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
158 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
159 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
160 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
161 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
162 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
163 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
164 1H08 - BYP BWP n/a n/a
165 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
166 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
167 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
168 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
169 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
170 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
171 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
172 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
173 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
174 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
175 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
176 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
177 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
178 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
179 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
180 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
181 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
182 5LI9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
183 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
184 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
185 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
186 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
187 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
188 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
189 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
190 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
191 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
192 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
193 5MOH - YTX C9 H10 O4 COc1cc(ccc....
194 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
195 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
196 5H8G ic50 < 0.003 uM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
197 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
198 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
199 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
200 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
201 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
202 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
203 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
204 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
205 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
206 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
207 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
208 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
209 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
210 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
211 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
212 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
213 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
214 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
215 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
216 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
217 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
218 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
219 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
220 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
221 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
222 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
223 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
224 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
225 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
226 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
227 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
228 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
229 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
230 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
231 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
232 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
233 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
234 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
235 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
236 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
237 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
238 3FHR - P4O C21 H16 N4 O c1ccc2c(c1....
239 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
240 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
241 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
242 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
243 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
244 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
245 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
246 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
247 5IZF Kd = 1.7 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
248 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
249 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
250 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
251 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
252 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
253 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
254 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
255 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
256 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
257 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
258 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
259 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
260 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
261 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
262 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
263 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
264 5DR9 - 5E2 C16 H9 Br Cl N O2 c1cc(cc(c1....
265 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
266 5DN3 Kd = 3.77 uM 5DN C16 H9 Br F N O2 c1cc(cc(c1....
267 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
268 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
269 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
270 5DT0 - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
271 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
272 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
273 5DR2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
274 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
275 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
276 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
277 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
278 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
279 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
280 5DRD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
281 5DPV - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
282 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
283 5DT3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
284 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
285 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
286 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
287 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
288 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
289 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
290 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
291 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
292 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
293 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
294 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
295 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
296 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
297 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
298 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
299 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
300 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
301 4DGO ic50 = 0.57 uM 0JW C10 H10 N2 O3 c1cc(c(cc1....
302 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
303 3PWD ic50 = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
304 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
305 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
306 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
307 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
308 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
309 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
310 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
311 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
312 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
313 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
314 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
315 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
316 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
317 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
318 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
319 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
320 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
321 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
322 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
323 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
324 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
325 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
326 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
327 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
328 5AUZ ic50 = 98 uM GEN C15 H10 O5 c1cc(ccc1C....
329 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
330 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
331 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
332 5AUY ic50 = 1.6 uM MRI C15 H10 O7 c1cc(c(cc1....
333 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
334 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
335 5AUW ic50 = 8.9 uM QUE C15 H10 O7 c1cc(c(cc1....
336 5AV2 - KMP C15 H10 O6 c1cc(ccc1C....
337 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
338 5AV3 - KMP C15 H10 O6 c1cc(ccc1C....
339 5AUT Kd = 6.7 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
340 5AV0 ic50 = 280 uM 47X C15 H10 O5 c1cc(c(cc1....
341 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
342 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
343 5AV4 - GEN C15 H10 O5 c1cc(ccc1C....
344 5AUX ic50 = 10 uM KMP C15 H10 O6 c1cc(ccc1C....
345 5AUV ic50 = 31 uM AGI C15 H10 O5 c1cc(ccc1C....
346 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
347 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
348 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
349 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
350 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
351 3QD4 ic50 = 0.00000001 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
352 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
353 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
354 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
355 5ACK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
356 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
357 5LVM - ADE C5 H5 N5 c1[nH]c2c(....
358 5MRD ic50 = 36.4 uM S26 C18 H13 Cl N2 O4 S2 CCOC(=O)C1....
359 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
360 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
361 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
362 3QCS ic50 = 0.00000001 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
363 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
364 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
365 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
366 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
367 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
368 5HKM ic50 = 0.013 uM 61Y C16 H15 N7 CCc1cc(nc(....
369 3QD0 ic50 = 0.00000001 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
370 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
371 5LVN Kd = 20 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
372 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
373 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
374 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
375 3QCX ic50 = 0.00000001 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
376 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
377 5LVL Kd = 1.25 uM 537 C14 H8 N2 O c1ccc2c(c1....
378 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
379 3QCY ic50 = 0.00000001 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
380 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
381 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
382 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
383 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
384 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
385 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
386 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
387 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
388 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
389 4QMP ic50 = 0.014 uM DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
390 4U8Z - 3FE C17 H15 N5 O c1cc(cc(c1....
391 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
392 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
393 4QMW ic50 = 0.086 uM KS1 C17 H17 N7 c1c[nH]c2c....
394 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
395 4QML - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
396 4QO9 ic50 = 0.16 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
397 4QMQ ic50 = 0.26 uM 34U C24 H27 N5 O2 COCCOc1ccc....
398 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
399 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
400 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
401 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
402 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
403 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
404 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
405 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
406 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
407 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
408 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
409 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
410 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
411 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
412 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
413 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
414 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
415 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
416 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
417 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
418 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
419 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
420 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
421 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
422 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
423 5L2T - 6ZZ C23 H30 N8 O CN(C)C(=O)....
424 5L2S - 6ZV C27 H32 F2 N8 CCN1CCN(CC....
425 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
426 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
427 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
428 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
429 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
430 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
431 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
432 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
433 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
434 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
435 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
436 3C0H - AMP C10 H14 N5 O7 P c1nc(c2c(n....
437 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
438 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
439 3C0G - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
440 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
441 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
442 4OTI ic50 = 43 nM MI1 C16 H20 N6 O C[C@@H]1CC....
443 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
444 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
445 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
446 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
447 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
448 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
449 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
450 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
451 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
452 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
453 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
454 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
455 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
456 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
457 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
458 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
459 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
460 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
461 5JZJ - AN2 C10 H16 N6 O9 P2 c1nc(c2c(n....
462 5AX9 ic50 = 8 nM 4KT C24 H24 N4 O3 COc1ccc(cc....
463 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
464 4JR7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
465 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
466 4MWH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
467 4LFI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
468 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
469 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
470 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
471 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
472 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
473 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
474 5F9E ic50 = 0.46 nM 5VS C23 H21 N5 O2 CC1(NC(=O)....
475 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
476 3M2W ic50 < 0.003 uM L8I C23 H21 F N4 O CN1CC2(C1)....
477 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
478 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
479 5DBX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
480 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
481 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
482 4WNO ic50 = 160 nM 3RF C20 H19 N7 c1ccc2c(c1....
483 4WNP ic50 = 8 nM 3RJ C22 H20 N8 c1ccc2c(c1....
484 5CI7 ic50 = 120 nM 51W C18 H24 I N7 O c1cc(cc(c1....
485 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
486 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
487 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
488 2V7O - DRN C25 H23 N5 O2 S [H]/N=C(/N....
489 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
490 4USF - 6UI C19 H15 N3 O COc1ccc2cc....
491 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
492 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: N53; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 N53 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X4Z; Ligand: X4Z; Similar sites found: 390
This union binding pocket(no: 1) in the query (biounit: 2x4z.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FUI APY 0.0003555 0.5097 None
2 4NAE 1GP 0.01311 0.43327 None
3 5FU3 BGC BGC BGC 0.01754 0.4279 None
4 4CQK PIO 0.03931 0.40855 None
5 1I7M PUT 0.02794 0.40354 1.1236
6 1OFL NGK GCD 0.001587 0.47953 1.35135
7 3NKS ACJ 0.007239 0.42585 1.35135
8 1GQ2 OXL 0.03066 0.4081 1.35135
9 4AVB CMP 0.03145 0.40165 1.35135
10 1SBR VIB 0.01721 0.42709 1.5
11 1OGX EQU 0.005322 0.43617 1.52672
12 3WG3 A2G GAL NAG FUC 0.0007439 0.49413 1.68539
13 1GPM AMP 0.03309 0.41518 1.68919
14 2YNE NHW 0.01148 0.40935 1.68919
15 2YNE YNE 0.01148 0.40935 1.68919
16 2Q7D ANP 0.007019 0.4071 1.68919
17 4MOB ADP 0.0453 0.4047 1.68919
18 4YGF AZM 0.0165 0.40236 1.7094
19 4JNJ BTN 0.01718 0.41127 1.73913
20 2D6M LBT 0.04159 0.41147 1.88679
21 3WXL ADP 0.009983 0.44095 2.02703
22 3B2Q AES 0.01544 0.43202 2.02703
23 3G0I VPR 0.02999 0.41402 2.02703
24 4CS9 AMP 0.04852 0.40267 2.1164
25 3X01 AMP 0.0009925 0.49475 2.36486
26 5GZ9 ANP 0.000001133 0.47965 2.36486
27 2I6A 5I5 0.003707 0.43212 2.36486
28 3A23 GAL 0.02335 0.41992 2.36486
29 3TY3 GGG 0.049 0.40295 2.36486
30 2XSB GDL 0.04336 0.40149 2.36486
31 4H4D 10E 0.03233 0.40105 2.36486
32 1TD2 PXL 0.03906 0.40777 2.43902
33 3MBI HSX 0.04083 0.40288 2.43902
34 1TZD ADP 0.0003914 0.51584 2.54545
35 4CSD MFU 0.03102 0.4145 2.57353
36 3KYG 5GP 5GP 0.002538 0.43964 2.64317
37 3ORQ ADP 0.001345 0.44833 2.65252
38 3VKX T3 0.03205 0.40847 2.68199
39 1GSA ADP 0.00003864 0.50744 2.7027
40 4U98 ACP 0.0004225 0.48468 2.7027
41 2VQD AP2 0.0004182 0.47106 2.7027
42 2WKQ FMN 0.003514 0.43318 2.7027
43 3ETH ATP 0.002784 0.43068 2.7027
44 3AVS OGA 0.01453 0.42661 2.7027
45 4N14 WR7 0.03712 0.42014 2.7027
46 5ABH YWN 0.007251 0.4065 2.7027
47 1YHM AHD 0.04275 0.40563 2.7027
48 3WWX DIA 0.04998 0.40408 2.7027
49 4FE2 ADP 0.001755 0.46436 2.7451
50 4FE2 AIR 0.006239 0.44124 2.7451
51 4WJT NAG 0.006985 0.42296 2.99401
52 2PUL ACP 0.000002837 0.58817 3.04054
53 3I0O ADP 0.00009137 0.53476 3.04054
54 3TDV GDP 0.0003255 0.48512 3.04054
55 1I7L ATP 0.000388 0.46037 3.04054
56 3ZGJ RMN 0.01886 0.42064 3.04054
57 1G51 AMP 0.02404 0.41936 3.04054
58 1OKE BOG 0.0171 0.41881 3.04054
59 2ICY UPG 0.008832 0.40287 3.04054
60 1SN0 T44 0.002403 0.45756 3.07692
61 4M6G ALA ZGL 0.04153 0.4059 3.11111
62 2CDO GAL AAL GAL AAL GAL AAL 0.0004228 0.51772 3.125
63 3T2W BTN 0.00884 0.4335 3.27869
64 5K2M ADP 0.0001127 0.42126 3.2967
65 2YRX AMP 0.003266 0.46708 3.37838
66 5U7W ADE 0.009236 0.44568 3.37838
67 4WOE ADP 0.01116 0.43942 3.37838
68 1OBD ATP 0.005608 0.43921 3.37838
69 2HGS ADP 0.002527 0.42915 3.37838
70 4GLW NMN 0.01966 0.4228 3.37838
71 3JQ3 ADP 0.01633 0.41984 3.37838
72 2V0U FMN 0.00399 0.43066 3.42466
73 5DKK FMN 0.005376 0.42473 3.44828
74 3ZJX BOG 0.03488 0.41294 3.46021
75 4I9A NCN 0.01736 0.40442 3.47222
76 4GGZ BTN 0.02408 0.4075 3.47826
77 3P7N FMN 0.00189 0.4455 3.48837
78 1XNK XS2 0.02243 0.40906 3.57143
79 2OX9 GAL NAG FUC 0.04965 0.40848 3.57143
80 4GCZ FMN 0.003682 0.43225 3.71622
81 1OFZ FUC 0.01397 0.432 3.71622
82 2IO8 ADP 0.002472 0.42632 3.71622
83 3LRE ADP 0.03625 0.40572 3.71622
84 1Q11 TYE 0.04264 0.40569 3.71622
85 4NOS ITU 0.04078 0.40291 3.71622
86 4OYA 1VE 0.01013 0.40182 3.71622
87 1KC7 PPR 0.0323 0.40126 3.71622
88 4IAW LIZ 0.01066 0.42934 3.7234
89 2GQS ADP 0.001037 0.46611 3.79747
90 2GQR ADP 0.001272 0.46187 3.79747
91 2GQS C2R 0.002186 0.45501 3.79747
92 2OVD DAO 0.04104 0.40904 3.84615
93 3BY9 SIN 0.04786 0.40449 3.84615
94 1OF4 BMA BMA BMA BMA BMA 0.0409 0.40823 3.91061
95 2WZ5 MET 0.00004718 0.5661 3.92157
96 1XDN ATP 0.01974 0.40831 3.97112
97 4K55 H6P 0.003369 0.44942 4.03226
98 5MW8 ATP 0.000006082 0.45677 4.05405
99 2IVD ACJ 0.01218 0.42238 4.05405
100 4ME6 ADP 0.02894 0.41392 4.05405
101 5EFW FMN 0.003392 0.43388 4.13793
102 1RGE 2GP 0.003583 0.46463 4.16667
103 5HWK BEZ 0.0439 0.40699 4.16667
104 5M6N 7H9 0.01078 0.44193 4.23729
105 4LFL TG6 0.02554 0.40984 4.32099
106 4MTI 2DX 0.02504 0.41827 4.34783
107 3SAO DBH 0.01163 0.43476 4.375
108 3SAO NKN 0.02757 0.40812 4.375
109 4ZS4 ATP 0.000001164 0.59219 4.39189
110 4UWH JXM 0.001057 0.47039 4.39189
111 4ANW O92 0.0001074 0.45787 4.39189
112 5NCY 8TK 0.0005652 0.43672 4.39189
113 2J5B TYE 0.02616 0.42162 4.39189
114 1CKM GTP 0.02458 0.41457 4.39189
115 1P9B GDP 0.01285 0.41056 4.39189
116 1E4E ADP 0.01277 0.40749 4.39189
117 4LI4 AMP 0.02632 0.413 4.41176
118 5JAX 6J7 0.02147 0.40321 4.44444
119 1N9L FMN 0.004686 0.42746 4.58716
120 3CM2 X23 0.009501 0.44099 4.61538
121 2XG5 EC2 0.001717 0.47699 4.62428
122 2XG5 EC5 0.001717 0.47699 4.62428
123 3VPD ANP 0.0007439 0.45587 4.62633
124 2PEL LAT 0.03592 0.41083 4.66102
125 2YKL NLD 0.01543 0.41722 4.71698
126 5IL1 SAM 0.01625 0.40267 4.71698
127 3PDT ADP 0.000001716 0.60616 4.72727
128 1AUX AGS 0.0001918 0.49583 4.72973
129 1PK8 ATP 0.0003722 0.4574 4.72973
130 3S6X SIA GAL BGC 0.02453 0.41939 4.72973
131 1U6R IOM 0.01662 0.4178 4.72973
132 1U6R ADP 0.01715 0.40467 4.72973
133 1BHX ASP PHE GLU GLU ILE 0.0003475 0.5052 4.7619
134 5FIT AP2 0.01667 0.41554 4.7619
135 3IWD M2T 0.003146 0.46676 4.83871
136 2AQX ATP 0.004837 0.42012 4.84429
137 4XMF HSM 0.001435 0.47887 4.8913
138 5DJU FMN 0.006432 0.41784 4.91803
139 4P86 5GP 0.01748 0.4145 4.91803
140 3KFF ZBT 0.03822 0.40828 4.93827
141 3KFF XBT 0.03822 0.40828 4.93827
142 3I9U DTU 0.01584 0.41426 4.94297
143 3VPC ADP 0.000317 0.47215 4.96454
144 3GJ4 GDP 0.03655 0.40178 4.97738
145 1GT4 UNA 0.002346 0.4492 5.03145
146 4R78 AMP 0.0001517 0.53017 5.06757
147 4FFG 0U8 0.01291 0.41744 5.06757
148 2YW2 ATP 0.0121 0.40549 5.06757
149 1IHU AF3 0.01269 0.40164 5.06757
150 3CYQ AMU 0.02984 0.41296 5.07246
151 1KDK DHT 0.01078 0.40191 5.08475
152 1DWK OXL 0.02903 0.41495 5.12821
153 5NBW 8SK 0.01251 0.42178 5.14019
154 3DGY 2GP 0.00274 0.47104 5.15464
155 2VSL MAA LYS PRO PHE 0.02148 0.41767 5.20833
156 1W2D ADP 0.0002525 0.51226 5.28302
157 1W2D 4IP 0.00539 0.40637 5.28302
158 4DSU BZI 0.01231 0.43233 5.29101
159 2CM4 RCL 0.007332 0.41216 5.33333
160 4BXF AKG 0.009206 0.44375 5.40541
161 4DFU QUE 0.008678 0.4431 5.40541
162 4OCT AKG 0.0143 0.42279 5.40541
163 1EHI ADP 0.008199 0.41632 5.40541
164 3IWJ NAD 0.01164 0.41258 5.40541
165 4Q5M ROC 0.003639 0.40041 5.41872
166 4TXE 38F 0.01318 0.41339 5.44218
167 1FAO 4IP 0.03228 0.41229 5.55556
168 3WVR AMP 0.0007012 0.47906 5.74324
169 3TY5 ATP 0.03332 0.40387 5.74324
170 1DCP HBI 0.02557 0.40001 5.76923
171 1VKF CIT 0.01334 0.42857 5.85106
172 3OYW TDG 0.00439 0.45899 5.97015
173 3RGA LSB 0.0009988 0.46688 6.00707
174 1NE6 SP1 0.006086 0.42945 6.00707
175 4INI AMP 0.01486 0.41436 6.15385
176 1Y7P RIP 0.003397 0.46346 6.27803
177 1AV5 AP2 0.01464 0.41837 6.34921
178 2ZMF CMP 0.009219 0.41399 6.34921
179 5XLY C2E 0.005274 0.42867 6.40569
180 5I35 ANP 0.00009149 0.51632 6.41892
181 3ZS7 ATP 0.01132 0.401 6.41892
182 5E89 TD2 0.005179 0.43279 6.47482
183 4GYI ADP 0.0001478 0.51787 6.75676
184 3PGU OLA 0.03807 0.40086 6.75676
185 3EB9 FLC 0.007636 0.43251 6.76692
186 3ZW0 FUC 0.03013 0.41247 6.89655
187 3ZKN WZV 0.03008 0.41395 7.09459
188 3NB0 G6P 0.02972 0.41021 7.09459
189 3AB4 THR 0.03392 0.40716 7.09459
190 3NEM ATP 0.0342 0.40328 7.09459
191 4CYI ATP 0.0001272 0.40285 7.09459
192 3VPB ADP 0.00008317 0.48445 7.14286
193 4M1U A2G MBG 0.02908 0.40369 7.14286
194 5AIG VPR 0.007642 0.43674 7.2
195 5SVV FMN 0.004109 0.42658 7.29927
196 2IF8 ADP 0.0009605 0.49436 7.43243
197 4OCV ANP 0.002448 0.44036 7.43243
198 2WA4 069 0.0284 0.40389 7.43243
199 2I4O ATP 0.03825 0.40076 7.43243
200 4XT2 43L 0.00593 0.41315 7.43802
201 2ET1 GLV 0.002305 0.47694 7.46269
202 4WUJ FMN 0.003992 0.43064 7.48299
203 1QB7 ADE 0.03089 0.40557 7.62712
204 5KEW 6SB 0.01796 0.42721 7.63889
205 1RNT 2GP 0.01621 0.40271 7.69231
206 1ZP9 ATP 0.00001205 0.56496 7.75194
207 1ZTH ADP 0.00002461 0.56378 7.75194
208 2PYW ADP 0.00001546 0.5352 7.77027
209 2BWA GLC BGC 0.03575 0.40228 7.92952
210 3O5N BR0 0.01453 0.4318 8.03571
211 2VPQ ANP 0.0004026 0.46356 8.10811
212 1YRO UDP 0.04469 0.40052 8.13008
213 2G30 ALA ALA PHE 0.00449 0.42334 8.13953
214 3GJ7 GDP 0.03533 0.40255 8.16327
215 3KYF 5GP 5GP 0.0006301 0.49203 8.22511
216 2PR5 FMN 0.005003 0.42616 8.33333
217 3SJK LYS PRO VAL LEU ARG THR ALA 0.02874 0.41919 8.42105
218 4WW7 AMP 0.00001406 0.44083 8.42912
219 4PU5 ANP 0.009356 0.40458 8.44595
220 4QDC ASD 0.02382 0.40104 8.44595
221 2ZL7 FUC GAL NGA 0.02767 0.41367 8.47458
222 1RDS GPC 0.006635 0.4315 8.57143
223 1ULE GLA GAL NAG 0.0002785 0.51916 8.66667
224 3AHW 2AM 0.0173 0.41112 8.77193
225 4YVN EBS 0.001714 0.48381 8.78378
226 4MNS 2AX 0.001617 0.42279 8.80503
227 2BOS GLA GAL 0.008831 0.40816 8.82353
228 4LKK SIA GAL 0.04148 0.40634 8.92857
229 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.008455 0.4303 8.94942
230 4OAV ACP 0.000008074 0.56653 9.12162
231 3VOT ADP 0.003246 0.45573 9.12162
232 4WCX ALA 0.009344 0.44313 9.12162
233 1YXM ADE 0.01454 0.42919 9.12162
234 1M6P M6P 0.03098 0.41325 9.21053
235 2HKA C3S 0.01468 0.4047 9.23077
236 2BVE PH5 0.01866 0.42659 9.2437
237 3OF1 CMP 0.02374 0.41147 9.34959
238 1DZK PRZ 0.006361 0.42853 9.55414
239 3EW2 BTN 0.02566 0.40973 9.62963
240 4Z28 BTN 0.01557 0.42091 9.70149
241 4IPH 1FJ 0.001672 0.43027 9.7561
242 3UDZ ADP 0.000003398 0.57095 9.7973
243 4AXD ANP 0.00002407 0.45974 9.7973
244 3ACL 3F1 0.006663 0.42757 10.473
245 5LXT ACP 0.00523 0.41551 10.4895
246 5MRH Q9Z 0.01091 0.43314 10.8108
247 4AZ3 S35 0.009345 0.40461 10.9677
248 1TT8 PHB 0.002608 0.41926 10.9756
249 3QUG GIX 0.0378 0.40466 11.1111
250 5A0U CHT 0.02693 0.41248 11.1486
251 1N5S ADL 0.01153 0.41618 11.6071
252 3TII ANP 0.002242 0.46393 11.8243
253 3KIH GDL 0.04441 0.40472 12.3711
254 2Q37 3AL 0.04971 0.40278 12.7072
255 1FHX 4IP 0.03052 0.40584 13.1783
256 1TQP ATP 0.0001237 0.48138 13.4752
257 3HAV ATP 0.003811 0.46191 13.5135
258 4NPL AKG 0.01471 0.4335 13.6
259 1IA9 ANP 0.00001623 0.53992 13.9286
260 1FMB HYB 0.009102 0.4287 14.4231
261 5OO5 UUA 0.01077 0.4176 14.5161
262 1HGX 5GP 0.04202 0.40221 14.7541
263 2CJU PHX 0.04709 0.40054 14.876
264 4O9S 2RY 0.001412 0.43015 14.8837
265 2GC0 PAN 0.003464 0.4372 14.8936
266 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.01408 0.40554 15.0442
267 3SK2 GRI 0.04504 0.40563 15.1515
268 2AGC DAO 0.02363 0.41548 16.0494
269 1RZX ACE VAL LYS GLU SER LEU VAL 0.02711 0.41922 16.3265
270 4AZT LY2 0.0009737 0.4824 16.5541
271 4AZW ATP 0.001338 0.44843 16.5541
272 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.02658 0.41277 19.6721
273 4O1P ANP 0.000002164 0.58666 22.6351
274 4FL3 ANP 0.000000007561 0.67521 24.3243
275 3PP0 03Q 0.000003088 0.53877 24.6622
276 2WU6 DKI 0.0000004846 0.58941 27.3649
277 5USZ SKE 0.000001036 0.55287 28.0277
278 5ML3 DL3 0.001206 0.41701 28.8591
279 4XH0 ADP 0.000001225 0.65387 29.7297
280 2QLU ADE 0.000002717 0.64002 29.7297
281 4KBA 1QM 0.0000009237 0.55487 29.7297
282 1K3A ACP 0.00000007255 0.46513 31.0811
283 2CSN CKI 0.00000002176 0.62663 31.4189
284 4WOV 3SM 0.00001878 0.56247 31.7568
285 4E93 GUI 0.000000709 0.53973 31.7568
286 5C03 AGS 0.000005496 0.43675 31.7568
287 3SRV S19 0.000000632 0.61922 31.769
288 3UIM ANP 0.0000227 0.53906 32.4324
289 5LPZ ADP 0.0000001983 0.63506 34.1216
290 5LXC 7AA 0.0000003014 0.46022 34.1216
291 5LPB ADP 0.0000004231 0.4416 34.1216
292 4BTK DTQ 0.0000309 0.53281 34.7973
293 3BU5 ATP 0.0000000761 0.65446 35.8108
294 1O9U ADZ 0.00000008463 0.72268 36.1486
295 4NM5 ADP 0.002627 0.41562 36.4865
296 3ZRM ZRM 0.000000402 0.62075 36.8243
297 3F7Z 34O 0.0000004497 0.46245 36.8243
298 5KO1 6UY 0.0000002692 0.63688 37.1025
299 4YZC STU 0.00000008308 0.56853 37.1622
300 2JLD AG1 0.000000157 0.55936 37.5
301 2XN5 FUN 0.005155 0.44547 40
302 3GC0 AMP 0.00000169 0.61452 40.2027
303 4YLL 4E3 0.000000004535 0.5501 40.2027
304 5VC5 96M 0.000000009462 0.56585 40.4844
305 5T8O 76Z 0.00000005663 0.64431 40.5405
306 3HMO STU 0.0000006935 0.6173 40.5405
307 4L9I 8PR 0.00000006375 0.47909 40.5405
308 5N87 N66 0.00000006402 0.57074 40.8784
309 4CRL C1I 0.000009159 0.48659 40.8784
310 4IDT T28 0.00000073 0.61624 41.5541
311 3PVW QRX 0.00000005915 0.6089 41.5541
312 5UKL SIX 0.000001012 0.49987 41.5541
313 5TA6 79D 0.00000008911 0.59562 41.8919
314 3FC2 IBI 0.001271 0.43908 41.8919
315 4Q5H ANP 0.0002602 0.48966 41.954
316 2PVF ACP 0.0000003888 0.62927 42.5676
317 3GQI ACP 0.000001218 0.59829 42.5676
318 2A19 ANP 0.0000001238 0.68088 42.6056
319 4OTH DRN 0.000000139 0.61967 42.9054
320 4AU8 Z3R 0.000002718 0.61254 42.9054
321 1VJY 460 0.00000009557 0.55421 42.9054
322 5MY8 RXZ 0.000001239 0.48686 42.9054
323 4D2S DYK 0.000001549 0.42482 42.9577
324 4QTB 38Z 0.0000000776 0.59219 43.2432
325 2QCS ANP 0.000006196 0.52642 43.2432
326 1UNH IXM 0.00000009382 0.46086 43.4931
327 3O0G 3O0 0.0000006202 0.45665 43.4931
328 3KMW ATP 0.00003827 0.53435 43.5424
329 2GU8 796 0.000000001068 0.66711 43.5811
330 4DC2 ADE 0.000000882 0.66675 43.5811
331 1XJD STU 0.0000001559 0.6321 43.5811
332 1ZY5 ANP 0.00001532 0.55328 43.5811
333 1RE8 BD2 0.000001311 0.53692 43.5811
334 3FHI ANP 0.00000867 0.52046 43.5811
335 3IDB ANP 0.000031 0.51156 43.5811
336 4WB6 ATP 0.000008246 0.46435 43.5811
337 4WB7 ATP 0.00009188 0.44919 43.5811
338 5LI9 ACP 0.00000004597 0.65632 43.9189
339 4WNK 453 0.00000003828 0.5572 43.9189
340 5JGA 6KC 0.00000002107 0.59705 44.2568
341 3SXF BK5 0.00000001607 0.59057 44.2568
342 5AWM ANP 0.000119 0.52892 44.2568
343 5LI1 ANP 0.0000004799 0.48294 44.2568
344 5EFQ ADP 0.000003329 0.44367 44.2568
345 2ZV2 609 0.0000008575 0.63806 44.5946
346 3H9R TAK 0.000002498 0.62327 44.5946
347 5HQ0 LZ9 0.000001082 0.46712 44.5946
348 5BVE 4VG 0.00000003542 0.61456 44.9324
349 4BCQ TJF 0.000000436 0.65303 45.2703
350 4BCN T9N 0.0000004764 0.64189 45.2703
351 2XMY CDK 0.00000001778 0.63004 45.2703
352 4H3P ANP 0.0000002859 0.62765 45.2703
353 2F2U M77 0.000001729 0.62254 45.2703
354 4H3Q ANP 0.0000001709 0.60892 45.2703
355 3HZT J60 0.00002586 0.56269 45.2703
356 3E7O 35F 0.0000008922 0.51864 45.2703
357 5LMK 6ZK 0.000004746 0.42425 45.2703
358 4BCM T7Z 0.00000177 0.40884 45.2703
359 2WEI VGG 0.000000035 0.68843 45.2962
360 5X8I SQZ 0.0000008861 0.60474 45.6081
361 2BPM 529 0.0000001689 0.48589 45.6081
362 4AUA 4AU 0.000006235 0.42315 45.6081
363 3IGO ANP 0.00000001864 0.658 45.9459
364 4BHN BH9 0.0000002735 0.61368 45.9459
365 4NST ADP 0.000007898 0.43388 45.9459
366 3TXO 07U 0.000001925 0.60373 46.2838
367 1OUK 084 0.0000006175 0.5947 46.6216
368 4UX9 ANP 0.000002752 0.56877 46.6216
369 4LOO SB4 0.000008771 0.55832 46.6216
370 5H2U 1N1 0.000002626 0.58274 46.8165
371 1V0O INR 0.000001551 0.58651 46.875
372 4CFU 2WC 0.0000003007 0.64297 46.9595
373 3PTG 932 0.000004071 0.6122 46.9595
374 1PHK ATP 0.000002418 0.5777 46.9595
375 4IZY 1J2 0.000001905 0.57593 46.9595
376 3TTI KBI 0.0000003407 0.57225 46.9595
377 3GC8 B45 0.000004184 0.55472 46.9595
378 1CM8 ANP 0.00007639 0.52006 46.9595
379 4WHZ 3NL 0.000001257 0.46494 46.9595
380 4FG8 ATP 0.00000173 0.57781 47.2973
381 5BYZ 4WE 0.00000001615 0.57577 47.2973
382 3GNI ATP 0.000003565 0.56374 47.2973
383 4I6H 1C8 0.0000009626 0.60307 47.6351
384 3ALN ANP 0.00001811 0.53213 47.6351
385 3E8N ATP 0.0000000315 0.52157 48.6486
386 3E8N VRA 0.0000000315 0.52157 48.6486
387 5EKO N17 0.0001541 0.40858 48.6486
388 2WEL K88 0.000000007165 0.77784 49.3243
389 2VN9 GVD 0.00000003597 0.7194 49.3243
390 2V7O DRN 0.000003716 0.61426 49.3243
391 2B9I ADP 0.000001747 0.59099 50
392 2B9J ADP 0.000005459 0.57463 50
393 2B9F ADP 0.000005336 0.56838 50
394 2B9H ADP 0.00000223 0.45531 50
Feedback