Receptor
PDB id Resolution Class Description Source Keywords
4EQU 2 Å EC: 2.7.11.1 HUMAN STK-10 (LOK) KINASE DOMAIN IN DFG-OUT CONFORMATION WIT INHIBITOR DSA-7 HOMO SAPIENS SERINE/THREONINE KINASE TRANSFERASE TRANSFERASE-TRANSFERASINHIBITOR COMPLEX
Ref.: AFFINITY-BASED PROBES BASED ON TYPE II KINASE INHIB J.AM.CHEM.SOC. V. 134 19017 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE B:405;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
CA A:402;
A:403;
B:402;
B:403;
B:404;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
G6I A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
571.552 C30 H24 F3 N7 O2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J7T 2 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN SERINE THREONINE KINASE-10 BOUND TO SU11274 HOMO SAPIENS KINASE TRANSFERASE ATP-BINDING CELL CYCLE PROGRESSION PHOSPHORYLATION DISEASE MUTATION NUCLEOTIDE- BINDING LYMORIENTED KINASE (LOK) SERINE/THREONINE- PROTEIN KINASE SERINE/THREONINE KINASE (STK10A)
Ref.: ACTIVATION SEGMENT DIMERIZATION: A MECHANISM FOR KI AUTOPHOSPHORYLATION OF NON-CONSENSUS SITES. EMBO J. V. 27 704 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
2 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
2 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
3 4USF - 6UI C19 H15 N3 O COc1ccc2cc....
4 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
5 2UV2 - GVD C22 H19 N7 c1ccc2c(c1....
6 2JFL - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
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: G6I; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 G6I 1 1
2 G6H 0.814815 0.925926
3 G6G 0.634146 0.69697
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J7T; Ligand: 274; Similar sites found: 674
This union binding pocket(no: 1) in the query (biounit: 2j7t.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BY8 MLT 0.001575 0.47014 None
2 1QD0 RR6 0.000222 0.46767 None
3 1PTR PRB 0.003356 0.45434 None
4 4NPT 017 0.0007359 0.45247 None
5 1LNX URI 0.001793 0.44764 None
6 2BOI MFU 0.001859 0.44696 None
7 2XRH NIO 0.005346 0.4446 None
8 1IM8 SAI 0.0001769 0.44088 None
9 4F4S EFO 0.006199 0.42422 None
10 3QP4 HL0 0.001818 0.42234 None
11 5RHN 8BR 0.005491 0.40431 None
12 3KYF 5GP 5GP 0.001871 0.43591 0.865801
13 4IV9 TSR 0.01499 0.4196 0.993378
14 3BAZ NAP 0.0004329 0.41266 0.993378
15 1H2B OCA 0.02393 0.40306 0.993378
16 2VQD AP2 0.006529 0.4125 1.3245
17 3PDT ADP 0.003122 0.4422 1.45455
18 2BZ1 TAU 0.0002648 0.55175 1.53061
19 3SJ7 NDP 0.0005132 0.40063 1.5873
20 1RYI GOA 0.00014 0.57725 1.65563
21 4W6Z ETF 0.006379 0.45524 1.65563
22 2ZJF BSU 0.001107 0.44523 1.65563
23 3AYS CT3 0.003089 0.42702 1.65563
24 1F3L SAH 0.0007475 0.41591 1.65563
25 1QS8 IVA VAL VAL STA ALA STA 0.001885 0.41357 1.65563
26 3K3G MMU 0.01285 0.4128 1.65563
27 3V1U NAD 0.0001958 0.40523 1.65563
28 1UXG NAD 0.0012 0.40174 1.65563
29 1UXG FUM 0.0012 0.40174 1.65563
30 2NLI LAC 0.002708 0.40162 1.65563
31 2NLI FMN 0.002708 0.40162 1.65563
32 3ZS7 ATP 0.001467 0.40625 1.66667
33 3PXP MYR 0.0002309 0.45085 1.71233
34 1QH9 LAC 0.0004379 0.4887 1.72414
35 3B1F NAD 0.00183 0.40308 1.72414
36 1CBF SAH 0.0005302 0.44241 1.75439
37 4B8V NDG NAG NAG NAG 0.0007273 0.40248 1.75439
38 3VPC ADP 0.002531 0.42716 1.77305
39 2JBH 5GP 0.001082 0.45121 1.77778
40 2EB5 OXL 0.002334 0.45498 1.87266
41 4K30 NLG 0.002714 0.43982 1.875
42 4F2Q QUS 0.0007207 0.44226 1.93798
43 4L6C 0BT 0.001864 0.40282 1.9802
44 4HZO COA 0.0013 0.45371 1.98676
45 3A2Q ACA ACA 0.000452 0.4402 1.98676
46 1X8X TYR 0.002187 0.43315 1.98676
47 2PP3 LGT 0.001297 0.43242 1.98676
48 2IO8 ADP 0.004003 0.41226 1.98676
49 3HZL 6PC 0.04776 0.40935 1.98676
50 2XVE FAD 0.003559 0.40548 1.98676
51 4MOB ADP 0.04114 0.40445 1.98676
52 3DER ALA LYS 0.002303 0.4032 1.98676
53 1QDS PGA 0.004306 0.42112 1.99203
54 1LYX PGA 0.007015 0.40413 2.01613
55 1HFA PIO 0.00243 0.48768 2.07612
56 4JP3 CIT 0.005283 0.41306 2.09205
57 2ZSC BTN 0.0002349 0.46103 2.12766
58 2ALG DAO 0.0005213 0.42501 2.17391
59 2ALG HP6 0.0005213 0.42501 2.17391
60 2QDT I38 0.003958 0.40965 2.23048
61 4B4D FAD 0.0007715 0.41926 2.29008
62 1RZM E4P 0.001032 0.47897 2.31788
63 4DFU QUE 0.001722 0.47532 2.31788
64 2ZJ5 ADP 0.0006336 0.47398 2.31788
65 3MAG 3MA 0.006192 0.46436 2.31788
66 4M5P MLA 0.006503 0.4632 2.31788
67 3E5P PPI 0.01872 0.45147 2.31788
68 3L24 GOA 0.009826 0.44546 2.31788
69 1RZM PEP 0.002838 0.43897 2.31788
70 4M5P 23W 0.01232 0.43338 2.31788
71 3LST SAH 0.001338 0.4319 2.31788
72 1A59 CIT 0.01347 0.42523 2.31788
73 4CCN OGA 0.01157 0.42265 2.31788
74 1R6W 164 0.003189 0.41317 2.31788
75 1PL6 NAD 0.0009995 0.41175 2.31788
76 3NKS ACJ 0.00357 0.41134 2.31788
77 1NW5 SAM 0.001741 0.41096 2.31788
78 4J7H TRH 0.001883 0.40979 2.31788
79 1B63 ANP 0.00149 0.40603 2.31788
80 1NNS ASP 0.01087 0.40465 2.31788
81 3MAG SAH 0.003019 0.40267 2.31788
82 1A59 COA 0.003936 0.40219 2.31788
83 4CCO OGA 0.02081 0.40126 2.31788
84 4QCK ASD 0.001084 0.40042 2.31788
85 2PWY SAH 0.0001553 0.40234 2.32558
86 3MCT 3MC 0.001384 0.45251 2.3569
87 2YLD CMO 0.006623 0.43393 2.3622
88 4K7O EKZ 0.005237 0.44503 2.38095
89 3DX5 DHB 0.01127 0.40401 2.44755
90 3CBG 4FE 0.006248 0.46414 2.58621
91 3CBG FER 0.009619 0.44594 2.58621
92 3CBG SAH 0.001045 0.42692 2.58621
93 3PNA CMP 0.0007338 0.4583 2.5974
94 3E6J DR2 0.004328 0.46828 2.62009
95 1I0Z OXM 0.005057 0.46049 2.64901
96 1FBL HTA 0.0006957 0.45346 2.64901
97 2VAR AMP 0.001007 0.44691 2.64901
98 1ZED PNP 0.006967 0.43906 2.64901
99 2VAR KDF 0.001238 0.43807 2.64901
100 2R00 OEG 0.007889 0.43645 2.64901
101 4GLW 0XT 0.007623 0.43631 2.64901
102 3O2K QRP 0.002183 0.43318 2.64901
103 3O2K DST 0.003904 0.43296 2.64901
104 2VAR ANP 0.0003037 0.43294 2.64901
105 1ZGA SAH 0.001263 0.43287 2.64901
106 1RYD GLC 0.02169 0.42177 2.64901
107 3NOJ PYR 0.009858 0.41791 2.64901
108 2RCN GDP 0.006427 0.41401 2.64901
109 4C6F DOR 0.007902 0.41033 2.64901
110 4C6F NCD 0.007902 0.41033 2.64901
111 2VAR KDG 0.006243 0.41018 2.64901
112 1EHI ADP 0.009378 0.40872 2.64901
113 1ZGA HMK 0.00842 0.40501 2.64901
114 3SIX GDP 0.00845 0.40495 2.64901
115 1OIK AKG 0.012 0.42191 2.65781
116 4WX0 HXD 0.001844 0.4221 2.6616
117 1ECM TSA 0.0001603 0.48609 2.75229
118 3I6B KDO 0.008271 0.41877 2.77778
119 3LTW HLZ 0.0003954 0.49075 2.85714
120 3SJU NDP 0.00007304 0.41689 2.86738
121 1QY1 PRZ 0.0002557 0.43547 2.87356
122 2OYS FMN 0.00007521 0.45343 2.89256
123 1NF8 ISC 0.0009306 0.44299 2.89855
124 1NF8 BOG 0.03318 0.4062 2.89855
125 4LFL TG6 0.0008254 0.45043 2.90698
126 1ZUW DGL 0.001251 0.44855 2.94118
127 1DXY COI 0.0003139 0.52324 2.98013
128 3U1T MLI 0.001129 0.47709 2.98013
129 1GPJ CIT 0.0009489 0.47312 2.98013
130 4OCV ANP 0.001114 0.45041 2.98013
131 1UOU CMU 0.0004495 0.45017 2.98013
132 3BK2 U5P 0.001472 0.43509 2.98013
133 4A6D SAM 0.0004399 0.43168 2.98013
134 5XHA FRU FRU 0.002582 0.4302 2.98013
135 3W54 RNB 0.001516 0.42982 2.98013
136 2YIV YIV 0.01468 0.42956 2.98013
137 3E7S AT2 0.0149 0.42896 2.98013
138 1YBH P22 0.003048 0.42726 2.98013
139 2VHJ ADP 0.000632 0.42622 2.98013
140 1T26 NAI 0.002588 0.42533 2.98013
141 1T26 GBD 0.002588 0.42533 2.98013
142 2YIV NBN 0.01412 0.42423 2.98013
143 1KTC NGA 0.007023 0.42186 2.98013
144 3TY5 ADP 0.008516 0.42125 2.98013
145 3TY5 ATP 0.01422 0.41812 2.98013
146 2CE7 ADP 0.003233 0.41712 2.98013
147 2R42 FPS 0.001404 0.41421 2.98013
148 1LVL NAD 0.00111 0.41392 2.98013
149 1DSS NAD 0.000427 0.41284 2.98013
150 4ME6 ADP 0.02844 0.41053 2.98013
151 2VQ5 LDP 0.01886 0.43065 2.98507
152 3UIE ADX 0.001008 0.43665 3
153 3UIE ANP 0.004866 0.41895 3
154 2HW1 FRU 0.01389 0.41374 3.02013
155 3SCH TB6 0.001425 0.46492 3.0303
156 2PR5 FMN 0.001904 0.41341 3.0303
157 2DTX BMA 0.001302 0.40178 3.0303
158 3A2Y TS5 0.003205 0.40914 3.04569
159 5D63 FUC GAL GLA 0.005565 0.42125 3.07167
160 3CM2 X23 0.04879 0.40007 3.07692
161 3DGY 2GP 0.03979 0.40399 3.09278
162 2C2A ADP 0.002781 0.41139 3.10078
163 1VQ2 DDN 0.003288 0.40873 3.10881
164 1EJE FMN 0.002037 0.41237 3.125
165 1B74 DGN 0.002112 0.47171 3.14961
166 4E13 NAD 0.0004314 0.42779 3.18021
167 4JWX 1N4 0.01555 0.4068 3.21429
168 1O68 KIV 0.007809 0.41985 3.27273
169 4LHM AZZ 0.00004268 0.52651 3.31126
170 3JQ3 ADP 0.00003583 0.50604 3.31126
171 2ZWS PLM 0.00424 0.48329 3.31126
172 2W8Q SIN 0.002024 0.46491 3.31126
173 1WTC ACP 0.003102 0.45599 3.31126
174 4CIB 7UZ 0.001604 0.45589 3.31126
175 4Q0A 4OA 0.000586 0.43162 3.31126
176 4KCT FDP 0.001992 0.42988 3.31126
177 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.0009767 0.42373 3.31126
178 4KCT PYR 0.0051 0.42285 3.31126
179 1FP2 SAH 0.002372 0.42231 3.31126
180 2Z9I GLY ALA THR VAL 0.01682 0.42171 3.31126
181 1FP2 HMO 0.002613 0.41642 3.31126
182 2NZ2 ASP 0.01065 0.41398 3.31126
183 1WVG APR 0.0004151 0.41322 3.31126
184 3QO8 SSA 0.004424 0.40784 3.31126
185 3M6W SAM 0.004588 0.40724 3.31126
186 2FFC U5P 0.003157 0.4056 3.31126
187 3S6X SIA GAL BGC 0.03708 0.40418 3.31126
188 3VSV XYS 0.04316 0.40336 3.31126
189 3K3K A8S 0.00204 0.40858 3.31754
190 2HNK SAH 0.0009313 0.42039 3.34728
191 3QP6 HL6 0.0007467 0.44167 3.39623
192 2OHV NHL 0.004584 0.4248 3.40909
193 1I36 NAP 0.0004127 0.42056 3.40909
194 1F5F DHT 0.0004831 0.43915 3.41463
195 3UEC ALA ARG TPO LYS 0.005561 0.44378 3.42466
196 4INB 1F6 0.0005597 0.42805 3.42466
197 3RF4 FUN 0.009742 0.41567 3.44828
198 1Y2W NAG 0.02151 0.41005 3.52113
199 1VE3 SAM 0.000833 0.42619 3.52423
200 1EYE PMM 0.002132 0.42871 3.57143
201 2BGM NAJ 0.003443 0.40307 3.59712
202 1JGS SAL 0.02065 0.4226 3.62319
203 4UWH JXM 0.001481 0.45775 3.64238
204 4NAO AKG 0.005669 0.44338 3.64238
205 1U1J MET 0.02479 0.43894 3.64238
206 2JC9 ADN 0.003224 0.43657 3.64238
207 3GTD MLI 0.006181 0.42959 3.64238
208 3A1I UNU 0.002835 0.42855 3.64238
209 1P72 THM 0.006055 0.42466 3.64238
210 2FOI JPA 0.003572 0.42444 3.64238
211 3UER TUR 0.002813 0.42393 3.64238
212 3UER BTU 0.002813 0.42393 3.64238
213 4L7I SAM 0.002096 0.41587 3.64238
214 2BH9 NAP 0.002727 0.41573 3.64238
215 1TDF NAP 0.003387 0.41143 3.64238
216 1QPB TPP 0.0003854 0.41075 3.64238
217 3MD0 GDP 0.01035 0.40988 3.64238
218 1O0S NAI 0.001414 0.40335 3.64238
219 3KO8 NAD 0.0001785 0.40239 3.64238
220 1TDF FAD 0.002302 0.4012 3.64238
221 2Y7P SAL 0.01047 0.4143 3.66972
222 3EW2 BTN 0.001354 0.4471 3.7037
223 1H65 GDP 0.001826 0.40661 3.7037
224 4JLV ADP 0.01293 0.45116 3.71747
225 1M1B SPV 0.01557 0.4115 3.72881
226 4DM8 REA 0.008204 0.40504 3.74532
227 3KMR EQN 0.00742 0.41331 3.7594
228 3KMZ EQO 0.0004258 0.41288 3.7594
229 1YOA FMN 0.008918 0.46489 3.77358
230 2QCX PF1 0.005567 0.43163 3.80228
231 1EB9 HBA 0.003375 0.42079 3.81679
232 1GVF PGH 0.005723 0.42573 3.84615
233 3BHO B4P 0.04411 0.41767 3.84615
234 2A2X NA9 0.001943 0.41311 3.861
235 2FEQ 34P 0.003165 0.40933 3.861
236 1O0D 163 0.005675 0.40006 3.861
237 4U9W SER GLY ARG GLY LYS NH2 0.006294 0.43204 3.86473
238 4U9W COA 0.003125 0.40953 3.86473
239 2Q37 3AL 0.004882 0.43419 3.8674
240 3UWB BB2 0.02977 0.40342 3.8961
241 3U4C NDP 0.0004235 0.40302 3.91459
242 1IA9 ANP 0.0003279 0.4743 3.92857
243 1KDK DHT 0.001753 0.4037 3.9548
244 3F8C HT1 0.00183 0.45332 3.96825
245 1Z44 NPO 0.0006116 0.5311 3.97351
246 3QV9 QV7 0.0006102 0.47472 3.97351
247 2DVZ GLU 0.0005182 0.45868 3.97351
248 3ZPG 5GP 0.006606 0.45445 3.97351
249 3GJB AKG 0.001242 0.44868 3.97351
250 2GWD GLU 0.001755 0.44236 3.97351
251 3T1A 5MA 0.0004461 0.43583 3.97351
252 3NFZ 3NF 0.001686 0.43275 3.97351
253 1Z48 FMN 0.0009996 0.43208 3.97351
254 1Z42 FMN 0.002685 0.42474 3.97351
255 3P7I P7I 0.006816 0.42242 3.97351
256 1Z42 HBA 0.04946 0.42187 3.97351
257 1I7L ATP 0.003485 0.41477 3.97351
258 1Z44 FMN 0.004182 0.41281 3.97351
259 4IHQ ADP 0.01066 0.40934 3.97351
260 1Z41 FMN 0.005522 0.40422 3.97351
261 4LBP 1WG 0.03567 0.40149 4
262 2PT9 S4M 0.0001102 0.41257 4.04984
263 2PT9 2MH 0.0005037 0.40806 4.04984
264 1AUA BOG 0.000635 0.46721 4.05405
265 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.008852 0.44058 4.08163
266 3EJ0 11X 0.02079 0.40351 4.08163
267 3UST FAD 0.002724 0.41575 4.11985
268 4PTZ FMN 0.003315 0.4086 4.18848
269 1S2D ADE 0.007528 0.40294 4.19162
270 1H8G CHT 0.03323 0.43215 4.21053
271 3SJ0 DXC 0.01028 0.4309 4.22535
272 4CS9 AMP 0.0248 0.4059 4.2328
273 3S9K CIT 0.00001695 0.61221 4.23729
274 3PMA SCR 0.003211 0.43664 4.2471
275 1U3I GSH 0.00726 0.42644 4.2654
276 4Q3F TLA 0.005946 0.42762 4.2735
277 1HQL GLA MBG 0.003782 0.45184 4.28016
278 3IHB TRS 0.0008336 0.51529 4.30464
279 2PUL ACP 0.0002502 0.48945 4.30464
280 1V6A TRE 0.0004279 0.48163 4.30464
281 2PYW ADP 0.0004161 0.46525 4.30464
282 3MTW M3R 0.0001367 0.46448 4.30464
283 1KC7 PPR 0.003056 0.4563 4.30464
284 1H0C AOA 0.004954 0.4462 4.30464
285 3IHB GLU 0.00973 0.43206 4.30464
286 1F1V DHY 0.006744 0.41773 4.30464
287 3CKJ CIT 0.000256 0.41608 4.30464
288 3BRE C2E 0.01689 0.41497 4.30464
289 2FGQ MLT 0.0174 0.41437 4.30464
290 4M37 SAH 0.001941 0.40933 4.30464
291 1YHM AHD 0.0191 0.40749 4.30464
292 3FKQ ATP 0.004444 0.40395 4.30464
293 4B9E FAH 0.01382 0.4247 4.31894
294 1NXJ GLV 0.01473 0.40339 4.37158
295 3R51 MMA 0.03406 0.41713 4.375
296 1KYV RBF 0.001577 0.42039 4.40252
297 6FIV 3TL 0.0005311 0.44737 4.42478
298 2O66 FLC 0.008825 0.42263 4.44444
299 4AIG FLX 0.001202 0.44377 4.47761
300 1UAY ADN 0.002936 0.41874 4.54545
301 3PMD 11A 0.00162 0.43847 4.57516
302 1H8P PC 0.005095 0.46032 4.58716
303 1N9L FMN 0.001004 0.4233 4.58716
304 1R5A GTS 0.007717 0.41526 4.58716
305 1XX4 BAM 0.006864 0.43997 4.5977
306 3KP6 SAL 0.001631 0.48716 4.63576
307 2P69 PLP 0.001265 0.46052 4.63576
308 1PX8 XYP 0.002469 0.44749 4.63576
309 3CQ5 PMP 0.004474 0.42525 4.63576
310 3ZF8 GDP 0.004855 0.41899 4.63576
311 1CKN GTP 0.01779 0.41725 4.63576
312 2PNC CLU 0.02614 0.41607 4.63576
313 1CKM GTP 0.02139 0.4131 4.63576
314 3ULK NDP 0.001083 0.4106 4.63576
315 1UBY DMA 0.003372 0.40833 4.63576
316 3DGB MUC 0.007111 0.40793 4.63576
317 4M51 BEZ 0.04059 0.40723 4.63576
318 3ZUY TCH 0.002027 0.43449 4.64396
319 3WCS MAN NAG GAL 0.008101 0.40989 4.72441
320 4ORR PE3 0.0005404 0.4097 4.73684
321 4JCA CIT 0.005635 0.46658 4.79042
322 2FR6 CTN 0.0007115 0.42862 4.79452
323 2FR6 URI 0.00183 0.41402 4.79452
324 1OGZ EQU 0.001084 0.44036 4.8
325 1VF1 GSH 0.003943 0.40216 4.80349
326 1QR0 COA 0.00742 0.41145 4.82456
327 1NZY BCA 0.0002624 0.40672 4.83271
328 1SJW NGV 0.0009927 0.43219 4.86111
329 1YFZ IMP 0.0007453 0.47082 4.87805
330 4WBD ADP 0.001566 0.47027 4.96689
331 3I0O ADP 0.004054 0.44561 4.96689
332 3I0O SMI 0.002769 0.44525 4.96689
333 4WBD CIT 0.01079 0.43627 4.96689
334 1Q11 TYE 0.003726 0.43383 4.96689
335 1Y7P RIP 0.02091 0.42183 4.96689
336 2WMO GTP 0.003444 0.41607 4.96689
337 4Q3R XA2 0.0009262 0.40252 4.96689
338 1Y13 BIO 0.00008958 0.4898 4.97238
339 1AX2 NDG GAL 0.009256 0.41663 5.02092
340 2CW6 3HG 0.002565 0.47583 5.03356
341 2G30 ALA ALA PHE 0.008415 0.41574 5.03876
342 2QA8 GEN 0.01668 0.40716 5.03876
343 4MGA 27L 0.03145 0.41848 5.09804
344 4N7C AEF 0.005764 0.44303 5.11364
345 1XVA SAM 0.001967 0.40913 5.13699
346 4R3L COA 0.001316 0.4254 5.20231
347 1G8S MET 0.00578 0.43668 5.21739
348 4B16 NAG 0.007308 0.46044 5.26316
349 1AUX AGS 0.001053 0.45574 5.29801
350 2XDQ MGX 0.007386 0.45192 5.29801
351 1I1Q TRP 0.001844 0.44146 5.29801
352 1WRA PC 0.00647 0.44061 5.29801
353 1K6M AGS 0.0001772 0.43653 5.29801
354 4OB6 S2T 0.0008937 0.4339 5.29801
355 4BG1 OGA 0.000576 0.42355 5.29801
356 4BG1 IVL 0.000576 0.42355 5.29801
357 3DG6 MUC 0.004438 0.41181 5.29801
358 1PK8 ATP 0.003827 0.4101 5.29801
359 3V1V GST 0.005023 0.402 5.29801
360 1B55 4IP 0.005726 0.40754 5.32544
361 1XK5 TPG 0.03865 0.40357 5.39216
362 1JN2 SFP 0.02736 0.43738 5.48523
363 1S9D AFB 0.02773 0.4034 5.4878
364 2V5E SCR 0.007013 0.46141 5.5
365 1QB7 ADE 0.006301 0.41436 5.50847
366 1T3D CYS 0.03028 0.40815 5.53633
367 2D0V PQQ 0.0006403 0.42603 5.55556
368 3QDY CBS 0.002009 0.46507 5.59441
369 3QDW A2G 0.005257 0.45962 5.59441
370 3QDW NDG 0.004258 0.44936 5.59441
371 3QDT A2G GAL 0.01092 0.436 5.59441
372 3QDY A2G GAL 0.01287 0.43244 5.59441
373 2FH5 GTP 0.001425 0.41398 5.60748
374 2CFM AMP 0.001294 0.47055 5.62914
375 1PEA ACM 0.002524 0.46785 5.62914
376 1P9B HDA 0.001859 0.45301 5.62914
377 1PFK FBP 0.0009254 0.4484 5.62914
378 4KOA NDP 0.000428 0.44107 5.62914
379 2Q09 DI6 0.002374 0.43684 5.62914
380 3B96 MYA 0.0004054 0.43291 5.62914
381 3B9Z CO2 0.01255 0.42099 5.62914
382 1P1M MET 0.0006148 0.41871 5.62914
383 2YFT DQR 0.004146 0.40889 5.62914
384 2OFD NGA 0.007467 0.43151 5.6338
385 2OFE NAG 0.0257 0.40643 5.6338
386 1S8F GDP 0.0005785 0.40546 5.64972
387 1C3V PDC 0.01238 0.416 5.71429
388 1Y9Q MED 0.001961 0.45849 5.72917
389 1EYQ NAR 0.002364 0.43691 5.85586
390 1WHT BZS 0.02682 0.40556 5.88235
391 2P41 G1G 0.001715 0.44278 5.90164
392 2P41 SAH 0.001467 0.41744 5.90164
393 1MZV AMP 0.006318 0.41431 5.95745
394 3SQG COM 0.0009645 0.5082 5.96026
395 1Y42 TYR 0.003161 0.43694 5.96026
396 1UH4 GLC GLC GLC GLC GLC 0.01233 0.43052 5.96026
397 1SQ5 ADP 0.00227 0.42763 5.96026
398 1QZZ SAM 0.002493 0.42148 5.96026
399 2Q8H TF4 0.03457 0.41987 5.96026
400 1KYZ SAH 0.001329 0.41898 5.96026
401 3ZGE ASP 0.02551 0.41746 5.96026
402 1SQ5 PAU 0.0103 0.41461 5.96026
403 4DYO SD4 0.009414 0.41161 5.96026
404 2QF7 COA 0.005889 0.40707 5.96026
405 3I8P 840 0.006296 0.40208 5.96026
406 1Y1A GSH 0.0444 0.41992 6.01093
407 1TH8 ADP 0.004108 0.42196 6.03448
408 1NU4 MLA 0.01 0.46205 6.18557
409 1YOE RIB 0.001165 0.44986 6.21118
410 1UW1 ADP 0.0007333 0.47114 6.25
411 4J26 EST 0.01009 0.42156 6.25
412 2IZ1 ATR 0.0045 0.44174 6.29139
413 4LIT AKG 0.01048 0.41927 6.29139
414 1C7S CBS 0.00457 0.41556 6.29139
415 4M26 AKG 0.03785 0.40703 6.29139
416 2VDF OCT 0.01683 0.40855 6.32411
417 2Y7G AAE 0.006899 0.40058 6.38298
418 2XNJ FAD 0.02497 0.40222 6.39098
419 2IMF TOM 0.001113 0.40332 6.40394
420 2IMF GSH 0.001113 0.40332 6.40394
421 2WCV FUC 0.001473 0.44556 6.42857
422 2IYG FMN 0.0001989 0.46956 6.45161
423 3D3H M4O 0.003022 0.41406 6.5
424 3ZJX BOG 0.031 0.4119 6.57439
425 1YRX FMN 0.0005438 0.44698 6.61157
426 4O8A 2OP 0.0006803 0.50579 6.62252
427 2Y0I AKG 0.003023 0.44354 6.62252
428 4GYI ADP 0.003688 0.44307 6.62252
429 2XUM OGA 0.005279 0.43851 6.62252
430 2WA4 069 0.001243 0.43801 6.62252
431 4C2G ALA ALA ALA ALA 0.00235 0.43703 6.62252
432 1H2K OGA 0.005705 0.43694 6.62252
433 1H2M OGA 0.006008 0.4359 6.62252
434 1U6R IOM 0.007421 0.43445 6.62252
435 3P3N AKG 0.006841 0.43328 6.62252
436 4B7E OGA 0.01157 0.41734 6.62252
437 2O2C G6Q 0.002905 0.4147 6.62252
438 3LM9 ADP 0.005551 0.41221 6.62252
439 1I2B USQ 0.002761 0.40462 6.62252
440 1I2B UPG 0.002761 0.40462 6.62252
441 1I2B NAD 0.002761 0.40462 6.62252
442 4A6F SEP 0.006024 0.465 6.66667
443 3U7Y FLC 0.02115 0.44343 6.66667
444 1JAC AMG 0.02696 0.42947 6.76692
445 4COQ SAN 0.008473 0.42895 6.88259
446 2DWU DGL 0.000786 0.45705 6.88406
447 2ZE3 AKG 0.005132 0.43322 6.90909
448 2Q3M MLA 0.001346 0.49039 6.95364
449 2CFU 1DB 0.00008911 0.45094 6.95364
450 1EP2 FMN 0.00006371 0.43033 6.95364
451 1JIL 485 0.001519 0.41302 6.95364
452 2HVW DDN 0.004375 0.41205 7.06522
453 2YD6 FLC 0.007441 0.46709 7.07547
454 1R6N 434 0.04287 0.40603 7.109
455 1NC4 DOF 0.04373 0.40335 7.23982
456 3ANK NG6 GCD 0.002281 0.4324 7.28477
457 1GSA ADP 0.0004195 0.41157 7.28477
458 4ANW O92 0.001097 0.41142 7.28477
459 2YW2 ATP 0.009657 0.40498 7.28477
460 3VPQ GSH 0.00866 0.423 7.35294
461 3SJK LYS PRO VAL LEU ARG THR ALA 0.04832 0.4017 7.36842
462 1ZJ6 G3D 0.001597 0.43369 7.48663
463 1GJW GLC 0.001245 0.47506 7.61589
464 4O1P ANP 0.00000708 0.44371 7.61589
465 1WDA BAG 0.004757 0.42412 7.61589
466 1GJW MAL 0.00833 0.40939 7.61589
467 1Z45 UPG 0.002722 0.40789 7.61589
468 1Z45 GAL 0.01552 0.40684 7.61589
469 3SHR CMP 0.0003513 0.46558 7.69231
470 2UZ2 BTN 0.0008608 0.43452 7.69231
471 2Q1W NAD 0.00008144 0.41111 7.80781
472 1Q6O LG6 0.006982 0.40039 7.87037
473 2BO4 FLC 0.001481 0.47143 7.94702
474 4USS GSH 0.001082 0.45716 7.94702
475 1H16 PYR 0.007361 0.4446 7.94702
476 2YKX AKG 0.01666 0.42076 7.94702
477 2YVF NAD 0.002022 0.41351 7.94702
478 2C5S AMP 0.009932 0.41063 7.94702
479 3RKR NAP 0.002321 0.4321 8.01527
480 2PFC PLM 0.001285 0.43744 8.19672
481 1A5V Y3 0.02438 0.40269 8.22785
482 4R33 TRP 0.0003613 0.41094 8.27815
483 4R33 SAH 0.0003613 0.41094 8.27815
484 4MRP GSH 0.04377 0.40928 8.27815
485 3UDG TMP 0.004549 0.46289 8.30565
486 1R18 SAH 0.001658 0.4045 8.37004
487 4BMO FMN 0.0001741 0.4248 8.40336
488 3KJQ B94 0.002216 0.42805 8.42105
489 1SS4 GSH 0.0002266 0.56006 8.49673
490 1SS4 CIT 0.01258 0.47177 8.49673
491 2JAR UMP 0.002983 0.40648 8.5
492 2Q1A 2KT 0.004342 0.44246 8.53242
493 3TFC PEP 0.0009878 0.45888 8.60927
494 1E2S CSN 0.001306 0.43231 8.60927
495 1MOQ GLP 0.001302 0.41929 8.60927
496 2IXB NAD 0.0001885 0.40489 8.60927
497 1NP0 NGT 0.003094 0.44929 8.62069
498 1ULE GLA GAL NAG 0.0315 0.41884 8.66667
499 3EYK EYK 0.007002 0.43281 8.72093
500 1TUV VK3 0.01877 0.43076 8.77193
501 1TU3 GNP 0.0002782 0.40023 8.77193
502 1DBT U5P 0.002981 0.40648 8.78661
503 1FW1 GSH 0.004139 0.41298 8.7963
504 1XE7 GUN 0.02957 0.42037 8.86699
505 3I7S PYR 0.001265 0.48283 8.90411
506 4RJK PYR 0.001739 0.47593 8.9404
507 3PC3 P1T 0.001161 0.41325 8.9404
508 4RJK TDL 0.0002121 0.40726 8.9404
509 4RJK TPP 0.0006716 0.40035 8.9404
510 1SC3 MLI 0.002125 0.47158 8.98876
511 3T2W BTN 0.007413 0.41147 9.01639
512 1ZZ7 S0H 0.001794 0.44762 9.09091
513 3W2W ATP 0.001797 0.43166 9.27152
514 3SSO SAH 0.0009047 0.41692 9.27152
515 2VDJ HSE 0.002046 0.4724 9.30233
516 2Y6P CTP 0.000551 0.4576 9.40171
517 4LO6 SIA GAL 0.01711 0.42314 9.47368
518 1YGC 905 0.003048 0.40253 9.52381
519 2F59 INI 0.0005427 0.43281 9.55414
520 2IF8 ADP 0.001886 0.47323 9.60265
521 1QO0 BMD 0.0019 0.45913 9.69388
522 3W8S GSH 0.005869 0.4306 9.70874
523 4G28 0W8 0.004741 0.42418 9.80392
524 1KYQ