Receptor
PDB id Resolution Class Description Source Keywords
5R9C 1.74 Å EC: 2.7.11.24 PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA FRAGMENT N14074A IN COMPLEX WITH MAP KINASE P38-ALPHA MUS MUSCULUS P38 MAPK14 KINASE TRANSFERASE SGC - DIAMOND I04-1 FRAGMESCREENING PANDDA XCHEMEXPLORER
Ref.: MINING THE PDB FOR TRACTABLE CASES WHERE X-RAY CRYSTALLOGRAPHY COMBINED WITH FRAGMENT SCREENS CAN TO SYSTEMATICALLY DESIGN PROTEIN-PROTEIN INHIBITORS TEST CASES ILLUSTRATED BY IL1 BETA-IL1R AND P38 ALP COMPLEXES. J.MED.CHEM. V. 63
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:410;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CL A:405;
A:403;
A:406;
A:404;
A:407;
A:402;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:408;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:409;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
7ZC A:401;
Valid;
none;
submit data
204.268 C12 H16 N2 O CN(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OUK 2.5 Å EC: 2.7.11.24 THE STRUCTURE OF P38 ALPHA IN COMPLEX WITH A PYRIDINYLIMIDAZ INHIBITOR HOMO SAPIENS MAP KINASE HYDROPHOBIC POCKET KINASE DOMAIN ATP BINDING DTRANSFERASE
Ref.: STRUCTURAL BASIS FOR P38ALPHA MAP KINASE QUINAZOLIN PYRIDOL-PYRIMIDINE INHIBITOR SPECIFICITY NAT.STRUCT.BIOL. V. 10 764 2003
Members (224)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5R8X - SLY C13 H13 N O c1ccc(cc1)....
2 3GCV Kd = 74 nM SS6 C29 H30 N8 O Cc1cccc(c1....
3 3L8S Kd = 99 nM BFF C20 H24 Br F2 N5 O3 S c1c(cc(c(c....
4 6Y7Y - OFQ C11 H19 N O C1C2CC3CC1....
5 3RIN ic50 = 1.3 nM I2O C23 H24 N2 O2 Cc1ccc(cc1....
6 5N65 - 8OT C20 H18 N4 S c1ccc(cc1)....
7 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
8 5R9B - JGM C11 H15 N3 O3 CC(=O)N[C@....
9 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
10 5RA0 - JFS C14 H12 N2 O c1ccc2c(c1....
11 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
12 6M95 ic50 = 140 nM J8S C21 H25 N O2 S COc1cc(ccc....
13 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
14 5R9K - SR4 C11 H10 O3 c1ccc2c(c1....
15 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
16 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
17 5R9G - RGY C12 H17 N3 O2 Cc1c2c(on1....
18 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
19 6M9L ic50 = 29 nM J9G C19 H14 F2 N4 O c1ccc(cc1)....
20 6YCU - OKZ C13 H14 N2 O4 S CCCNS(=O)(....
21 1WBO ic50 > 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
22 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
23 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
24 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
25 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
26 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
27 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
28 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
29 6Y81 Kd = 25.1 uM OG5 C29 H35 N5 O5 S c1ccc(cc1)....
30 5R94 - SOV C12 H8 N2 O2 Cc1ccc(cc1....
31 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
32 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
33 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
34 5R99 - SU7 C15 H18 N2 O c1ccc(cc1)....
35 6YJC ic50 = 81.3 nM OSZ C32 H41 N7 O3 c1ccc(cc1)....
36 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
37 5RA2 - SV4 C11 H17 N3 Cc1cccnc1N....
38 5R90 - SNJ C15 H12 N2 O c1ccc(cc1)....
39 6Y6V - OE5 C32 H33 N7 O2 Cc1ccc(cc1....
40 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
41 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
42 5R8Y - SMV C5 H5 N S2 c1cc(sc1)C....
43 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
44 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
45 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
46 5R9H - SQV C10 H13 N O3 C[C@@H](c1....
47 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
48 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
49 5WJJ ic50 = 5.4 nM AQY C25 H19 F N6 O2 Cc1cc(ccc1....
50 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
51 6ZWP ic50 = 22.1 nM OE8 C34 H37 F N6 O3 c1ccc(cc1)....
52 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
53 5R91 - SNV C12 H19 N3 O c1ccc(c(c1....
54 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
55 6HWU ic50 = 54.7 nM GE5 C31 H26 F N5 O3 S COc1ccc(c(....
56 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
57 1YQJ Ki = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
58 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
59 5R9I - SQY C15 H14 Br N O2 COC(=O)[C@....
60 4AA5 ic50 = 16 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
61 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
62 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
63 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
64 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
65 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
66 5R9T - 6T5 C13 H16 N4 O CC1=NNC(=O....
67 5R96 - SQ7 C9 H5 Cl N2 O2 c1cc(ccc1N....
68 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
69 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
70 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
71 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
72 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
73 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
74 3HV7 Kd ~ 12 nM 1AU C24 H25 N5 O CC(C)(C)c1....
75 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
76 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
77 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
78 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
79 5R9A - SQM C12 H12 N4 O2 Cn1c(c(cn1....
80 5R9S - A9B C11 H9 Cl N2 O2 c1cc(ccc1c....
81 5OMH - 9Y5 C16 H12 Cl N3 O2 S Cc1c2c(n(n....
82 5R8W - JND C8 H8 N2 O S CCc1cc2c(s....
83 5RA6 - SVM C15 H21 N3 S c1ccnc(c1)....
84 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
85 6OHD ic50 = 0.42 nM MKP C21 H21 N5 O3 Cc1ccc(cc1....
86 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
87 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
88 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
89 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
90 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
91 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
92 5R9Z - AYS C13 H11 Cl N2 O c1ccc(c(c1....
93 6HWT - GXH C31 H28 F N5 O3 S COc1ccc(c(....
94 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
95 5R8V - SLV C11 H15 N O2 CCCc1ccc(c....
96 5RA4 - SVG C14 H13 Cl N2 C/C(=NCc1c....
97 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
98 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
99 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
100 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
101 6Y80 - SB4 C18 H19 F N6 c1cc(ccc1c....
102 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
103 5OMG - 9Y8 C16 H12 F N3 O2 S CN1c2c([nH....
104 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
105 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
106 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
107 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
108 3HEC Kd = 34 uM STI C29 H31 N7 O Cc1ccc(cc1....
109 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
110 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
111 3MVM ic50 = 3.9 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
112 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
113 1W7H ic50 > 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
114 5R9X - NZ4 C13 H16 N2 O3 CC(=O)c1cc....
115 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
116 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
117 5R9M - A7K C13 H21 N2 O c1ccc(c(c1....
118 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
119 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
120 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
121 5RA3 - SVD C8 H16 N2 O2 CC(C)(C)[C....
122 5R98 - SQG C10 H7 F3 N2 O2 c1cc(ccc1N....
123 5RA8 - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
124 5R9J - LXS C15 H16 N2 O4 CCN1C(=O)C....
125 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
126 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
127 6Y7W Kd = 57.8 uM OFW C26 H35 N5 O6 S C[C@@]1(CN....
128 3HEG Kd = 0.18 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
129 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
130 5R9R - K3D C9 H17 N3 O2 CCNC(=O)N1....
131 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
132 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
133 5R93 - SOJ C12 H12 N2 c1ccc(cc1)....
134 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
135 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
136 5R9Y - SU7 C15 H18 N2 O c1ccc(cc1)....
137 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
138 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
139 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
140 5R9C - 7ZC C12 H16 N2 O CN(C)Cc1c[....
141 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
142 6HWV ic50 = 115 nM GEW C32 H28 F2 N6 O3 Cn1c(c(nc1....
143 5R8U - SLS C10 H11 N O2 c1cc2c(cc1....
144 4A9Y - AQZ C32 H37 N7 O4 Cc1ccc(cc1....
145 5R9Q - LVD C8 H10 N2 O2 c1ccc(cc1)....
146 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
147 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
148 5R9L - SRJ C18 H25 N O2 c1ccc(cc1)....
149 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
150 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
151 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
152 6YCW - OL8 C15 H10 N2 O4 c1cc(cc(c1....
153 3BV2 ic50 = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
154 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
155 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
156 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
157 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
158 6ZWR ic50 = 21.7 nM OEB C34 H39 N7 O3 c1ccc(cc1)....
159 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COc1c(cc2c....
160 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
161 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
162 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
163 5R95 - SQ4 C10 H8 N2 O2 c1cc(ccc1N....
164 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
165 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
166 3BX5 ic50 = 3.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
167 5R9V - SSY C10 H8 F3 N O2 CC(=O)c1cc....
168 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
169 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
170 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
171 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
172 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
173 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
174 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
175 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
176 5RA7 - SW7 C8 H9 N O Cc1ccc(cc1....
177 5R8Z - SN4 C7 H8 N2 O S COc1ccc(cn....
178 5R9D - N9J C8 H9 N O3 c1ccc(cc1)....
179 5R9P - SFY C11 H11 N3 O2 S c1ccnc(c1)....
180 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
181 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
182 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
183 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
184 5MZ3 ic50 = 0.0002 uM 8EN C24 H19 F3 N4 O2 Cc1ccc(cc1....
185 5R9W - STV C10 H13 N O4 S CCS(=O)(=O....
186 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
187 5RA1 - PO6 C8 H9 N O2 c1ccc(cc1)....
188 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
189 5RA5 - SVJ C8 H16 N2 CN1[C@@H]2....
190 5R9E - S7S C7 H13 N5 O CCCC(=O)Nc....
191 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
192 5R92 - SO7 C14 H18 N2 O4 CN(C(=O)[C....
193 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
194 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
195 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
196 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
197 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
198 5R9F - SQP C13 H11 N O2 c1ccc(c(c1....
199 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
200 6Y7X - OFQ C11 H19 N O C1C2CC3CC1....
201 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
202 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
203 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
204 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
205 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
206 6ANL ic50 = 240 nM T75 C24 H21 N3 O S CCc1nc(c(s....
207 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
208 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
209 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
210 5R9U - JMM C13 H16 N2 O3 c1cc(oc1)C....
211 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
212 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
213 5R9N - JFS C14 H12 N2 O c1ccc2c(c1....
214 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
215 5RA9 - SWD C6 H3 Cl N2 S c1csc2c1nc....
216 5XYY ic50 = 9.221 uM P0F C15 H12 Cl F N4 O c1cc(cc(c1....
217 5R97 - RUY C7 H12 N4 O C1CCN(CC1)....
218 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
219 5R9O - 54F C11 H10 N2 O c1ccnc(c1)....
220 4AAC ic50 = 6.7 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
221 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
222 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
223 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
224 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
70% Homology Family (230)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5R8X - SLY C13 H13 N O c1ccc(cc1)....
2 3GCV Kd = 74 nM SS6 C29 H30 N8 O Cc1cccc(c1....
3 3L8S Kd = 99 nM BFF C20 H24 Br F2 N5 O3 S c1c(cc(c(c....
4 6Y7Y - OFQ C11 H19 N O C1C2CC3CC1....
5 3RIN ic50 = 1.3 nM I2O C23 H24 N2 O2 Cc1ccc(cc1....
6 5N65 - 8OT C20 H18 N4 S c1ccc(cc1)....
7 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
8 5R9B - JGM C11 H15 N3 O3 CC(=O)N[C@....
9 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
10 5RA0 - JFS C14 H12 N2 O c1ccc2c(c1....
11 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
12 6M95 ic50 = 140 nM J8S C21 H25 N O2 S COc1cc(ccc....
13 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
14 5R9K - SR4 C11 H10 O3 c1ccc2c(c1....
15 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
16 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
17 5R9G - RGY C12 H17 N3 O2 Cc1c2c(on1....
18 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
19 6M9L ic50 = 29 nM J9G C19 H14 F2 N4 O c1ccc(cc1)....
20 6YCU - OKZ C13 H14 N2 O4 S CCCNS(=O)(....
21 1WBO ic50 > 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
22 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
23 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
24 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
25 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
26 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
27 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
28 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
29 6Y81 Kd = 25.1 uM OG5 C29 H35 N5 O5 S c1ccc(cc1)....
30 5R94 - SOV C12 H8 N2 O2 Cc1ccc(cc1....
31 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
32 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
33 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
34 5R99 - SU7 C15 H18 N2 O c1ccc(cc1)....
35 6YJC ic50 = 81.3 nM OSZ C32 H41 N7 O3 c1ccc(cc1)....
36 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
37 5RA2 - SV4 C11 H17 N3 Cc1cccnc1N....
38 5R90 - SNJ C15 H12 N2 O c1ccc(cc1)....
39 6Y6V - OE5 C32 H33 N7 O2 Cc1ccc(cc1....
40 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
41 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
42 5R8Y - SMV C5 H5 N S2 c1cc(sc1)C....
43 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
44 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
45 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
46 5R9H - SQV C10 H13 N O3 C[C@@H](c1....
47 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
48 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
49 5WJJ ic50 = 5.4 nM AQY C25 H19 F N6 O2 Cc1cc(ccc1....
50 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
51 6ZWP ic50 = 22.1 nM OE8 C34 H37 F N6 O3 c1ccc(cc1)....
52 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
53 5R91 - SNV C12 H19 N3 O c1ccc(c(c1....
54 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
55 6HWU ic50 = 54.7 nM GE5 C31 H26 F N5 O3 S COc1ccc(c(....
56 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
57 1YQJ Ki = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
58 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
59 5R9I - SQY C15 H14 Br N O2 COC(=O)[C@....
60 4AA5 ic50 = 16 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
61 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
62 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
63 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
64 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
65 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
66 5R9T - 6T5 C13 H16 N4 O CC1=NNC(=O....
67 5R96 - SQ7 C9 H5 Cl N2 O2 c1cc(ccc1N....
68 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
69 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
70 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
71 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
72 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
73 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
74 3HV7 Kd ~ 12 nM 1AU C24 H25 N5 O CC(C)(C)c1....
75 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
76 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
77 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
78 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
79 5R9A - SQM C12 H12 N4 O2 Cn1c(c(cn1....
80 5R9S - A9B C11 H9 Cl N2 O2 c1cc(ccc1c....
81 5OMH - 9Y5 C16 H12 Cl N3 O2 S Cc1c2c(n(n....
82 5R8W - JND C8 H8 N2 O S CCc1cc2c(s....
83 5RA6 - SVM C15 H21 N3 S c1ccnc(c1)....
84 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
85 6OHD ic50 = 0.42 nM MKP C21 H21 N5 O3 Cc1ccc(cc1....
86 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
87 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
88 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
89 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
90 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
91 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
92 5R9Z - AYS C13 H11 Cl N2 O c1ccc(c(c1....
93 6HWT - GXH C31 H28 F N5 O3 S COc1ccc(c(....
94 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
95 5R8V - SLV C11 H15 N O2 CCCc1ccc(c....
96 5RA4 - SVG C14 H13 Cl N2 C/C(=NCc1c....
97 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
98 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
99 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
100 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
101 6Y80 - SB4 C18 H19 F N6 c1cc(ccc1c....
102 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
103 5OMG - 9Y8 C16 H12 F N3 O2 S CN1c2c([nH....
104 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
105 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
106 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
107 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
108 3HEC Kd = 34 uM STI C29 H31 N7 O Cc1ccc(cc1....
109 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
110 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
111 3MVM ic50 = 3.9 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
112 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
113 1W7H ic50 > 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
114 5R9X - NZ4 C13 H16 N2 O3 CC(=O)c1cc....
115 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
116 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
117 5R9M - A7K C13 H21 N2 O c1ccc(c(c1....
118 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
119 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
120 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
121 5RA3 - SVD C8 H16 N2 O2 CC(C)(C)[C....
122 5R98 - SQG C10 H7 F3 N2 O2 c1cc(ccc1N....
123 5RA8 - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
124 5R9J - LXS C15 H16 N2 O4 CCN1C(=O)C....
125 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
126 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
127 6Y7W Kd = 57.8 uM OFW C26 H35 N5 O6 S C[C@@]1(CN....
128 3HEG Kd = 0.18 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
129 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
130 5R9R - K3D C9 H17 N3 O2 CCNC(=O)N1....
131 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
132 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
133 5R93 - SOJ C12 H12 N2 c1ccc(cc1)....
134 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
135 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
136 5R9Y - SU7 C15 H18 N2 O c1ccc(cc1)....
137 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
138 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
139 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
140 5R9C - 7ZC C12 H16 N2 O CN(C)Cc1c[....
141 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
142 6HWV ic50 = 115 nM GEW C32 H28 F2 N6 O3 Cn1c(c(nc1....
143 5R8U - SLS C10 H11 N O2 c1cc2c(cc1....
144 4A9Y - AQZ C32 H37 N7 O4 Cc1ccc(cc1....
145 5R9Q - LVD C8 H10 N2 O2 c1ccc(cc1)....
146 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
147 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
148 5R9L - SRJ C18 H25 N O2 c1ccc(cc1)....
149 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
150 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
151 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
152 6YCW - OL8 C15 H10 N2 O4 c1cc(cc(c1....
153 3BV2 ic50 = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
154 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
155 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
156 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
157 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
158 6ZWR ic50 = 21.7 nM OEB C34 H39 N7 O3 c1ccc(cc1)....
159 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COc1c(cc2c....
160 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
161 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
162 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
163 5R95 - SQ4 C10 H8 N2 O2 c1cc(ccc1N....
164 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
165 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
166 3BX5 ic50 = 3.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
167 5R9V - SSY C10 H8 F3 N O2 CC(=O)c1cc....
168 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
169 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
170 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
171 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
172 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
173 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
174 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
175 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
176 5RA7 - SW7 C8 H9 N O Cc1ccc(cc1....
177 5R8Z - SN4 C7 H8 N2 O S COc1ccc(cn....
178 5R9D - N9J C8 H9 N O3 c1ccc(cc1)....
179 5R9P - SFY C11 H11 N3 O2 S c1ccnc(c1)....
180 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
181 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
182 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
183 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
184 5MZ3 ic50 = 0.0002 uM 8EN C24 H19 F3 N4 O2 Cc1ccc(cc1....
185 5R9W - STV C10 H13 N O4 S CCS(=O)(=O....
186 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
187 5RA1 - PO6 C8 H9 N O2 c1ccc(cc1)....
188 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
189 5RA5 - SVJ C8 H16 N2 CN1[C@@H]2....
190 5R9E - S7S C7 H13 N5 O CCCC(=O)Nc....
191 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
192 5R92 - SO7 C14 H18 N2 O4 CN(C(=O)[C....
193 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
194 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
195 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
196 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
197 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
198 5R9F - SQP C13 H11 N O2 c1ccc(c(c1....
199 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
200 6Y7X - OFQ C11 H19 N O C1C2CC3CC1....
201 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
202 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
203 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
204 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
205 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
206 6ANL ic50 = 240 nM T75 C24 H21 N3 O S CCc1nc(c(s....
207 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
208 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
209 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
210 5R9U - JMM C13 H16 N2 O3 c1cc(oc1)C....
211 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
212 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
213 5R9N - JFS C14 H12 N2 O c1ccc2c(c1....
214 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
215 5RA9 - SWD C6 H3 Cl N2 S c1csc2c1nc....
216 5XYY ic50 = 9.221 uM P0F C15 H12 Cl F N4 O c1cc(cc(c1....
217 5R97 - RUY C7 H12 N4 O C1CCN(CC1)....
218 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
219 5R9O - 54F C11 H10 N2 O c1ccnc(c1)....
220 4AAC ic50 = 6.7 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
221 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
222 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
223 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
224 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
225 3GC8 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
226 3GC9 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
227 4EYM - 0RX C21 H20 N4 O3 c1cc(ccc1N....
228 5EKO ic50 = 15785 nM N17 C22 H18 N4 O2 Cc1cn(cn1)....
229 4EYJ - N61 C20 H23 N5 O2 CC(C)(C)c1....
230 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (663)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3IGO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 3NCG - BK1 C19 H19 N5 CC(C)n1c2c....
3 3MWU - BK3 C22 H24 N6 c1ccc2c(c1....
4 6NG0 Ki = 10 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
5 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
6 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
7 6FCK ic50 = 0.031 uM D4Z C20 H22 N4 O c1ccc(cc1)....
8 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
9 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
10 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
11 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
12 5OQ7 Ki = 0.322 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
13 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
14 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
15 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
16 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
17 5OP5 Ki = 0.216 uM 3FE C17 H15 N5 O c1cc(cc(c1....
18 3NLB ic50 = 35 nM 5BE C21 H28 N6 O Cc1c(c([nH....
19 3JVR Ki = 1.89 uM AGX C16 H13 Cl2 N3 O2 C[C@@H](c1....
20 2WMX ic50 = 0.86 uM ZY6 C17 H19 N5 O c1ccc(cc1)....
21 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
22 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
23 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
24 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
25 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
26 5OP7 - A1K C19 H21 Cl N6 O3 CNc1c2c(c[....
27 5OOP - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
28 5OPR Ki = 2.56 uM A3E C21 H26 N6 O CC(C)n1cc(....
29 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
30 5OQ5 Ki = 0.02 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
31 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
32 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
33 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
34 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
35 5OQ8 Ki = 1.41 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
36 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
37 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
38 5OPS Ki = 0.863 uM A3Q C14 H9 N3 O c1cc(cc(c1....
39 3JVS Kd = 0.29 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
40 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
41 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
42 2C3L Ki = 8.58 uM IDZ C14 H10 N4 c1ccc2c(c1....
43 5OP2 Ki = 0.24 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
44 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
45 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
46 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
47 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
48 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
49 5OOR - STU C28 H26 N4 O3 C[C@@]12[C....
50 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
51 4RVK ic50 = 13.5 nM 3XK C19 H13 N5 O CC(=O)Nc1c....
52 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
53 6FC8 ic50 = 0.012 uM D4Q C19 H19 F N4 O S c1cc(cc(c1....
54 5R98 - SQG C10 H7 F3 N2 O2 c1cc(ccc1N....
55 5RA8 - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
56 5R9J - LXS C15 H16 N2 O4 CCN1C(=O)C....
57 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
58 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
59 6Y7W Kd = 57.8 uM OFW C26 H35 N5 O6 S C[C@@]1(CN....
60 3HEG Kd = 0.18 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
61 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
62 5R9R - K3D C9 H17 N3 O2 CCNC(=O)N1....
63 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
64 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
65 5R93 - SOJ C12 H12 N2 c1ccc(cc1)....
66 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
67 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
68 5R9Y - SU7 C15 H18 N2 O c1ccc(cc1)....
69 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
70 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
71 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
72 5R9C - 7ZC C12 H16 N2 O CN(C)Cc1c[....
73 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
74 6HWV ic50 = 115 nM GEW C32 H28 F2 N6 O3 Cn1c(c(nc1....
75 5R8U - SLS C10 H11 N O2 c1cc2c(cc1....
76 4A9Y - AQZ C32 H37 N7 O4 Cc1ccc(cc1....
77 5R9Q - LVD C8 H10 N2 O2 c1ccc(cc1)....
78 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
79 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
80 5R9L - SRJ C18 H25 N O2 c1ccc(cc1)....
81 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
82 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
83 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
84 6YCW - OL8 C15 H10 N2 O4 c1cc(cc(c1....
85 3BV2 ic50 = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
86 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
87 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
88 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
89 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
90 6ZWR ic50 = 21.7 nM OEB C34 H39 N7 O3 c1ccc(cc1)....
91 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COc1c(cc2c....
92 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
93 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
94 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
95 5R95 - SQ4 C10 H8 N2 O2 c1cc(ccc1N....
96 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
97 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
98 3BX5 ic50 = 3.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
99 5R9V - SSY C10 H8 F3 N O2 CC(=O)c1cc....
100 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
101 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
102 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
103 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
104 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
105 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
106 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
107 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
108 5RA7 - SW7 C8 H9 N O Cc1ccc(cc1....
109 5R8Z - SN4 C7 H8 N2 O S COc1ccc(cn....
110 5R9D - N9J C8 H9 N O3 c1ccc(cc1)....
111 5R9P - SFY C11 H11 N3 O2 S c1ccnc(c1)....
112 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
113 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
114 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
115 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
116 5MZ3 ic50 = 0.0002 uM 8EN C24 H19 F3 N4 O2 Cc1ccc(cc1....
117 5R9W - STV C10 H13 N O4 S CCS(=O)(=O....
118 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
119 5RA1 - PO6 C8 H9 N O2 c1ccc(cc1)....
120 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
121 5RA5 - SVJ C8 H16 N2 CN1[C@@H]2....
122 5R9E - S7S C7 H13 N5 O CCCC(=O)Nc....
123 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
124 5R92 - SO7 C14 H18 N2 O4 CN(C(=O)[C....
125 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
126 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
127 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
128 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
129 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
130 5R9F - SQP C13 H11 N O2 c1ccc(c(c1....
131 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
132 6Y7X - OFQ C11 H19 N O C1C2CC3CC1....
133 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
134 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
135 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
136 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
137 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
138 6ANL ic50 = 240 nM T75 C24 H21 N3 O S CCc1nc(c(s....
139 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
140 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
141 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
142 5R9U - JMM C13 H16 N2 O3 c1cc(oc1)C....
143 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
144 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
145 5R9N - JFS C14 H12 N2 O c1ccc2c(c1....
146 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
147 5RA9 - SWD C6 H3 Cl N2 S c1csc2c1nc....
148 5XYY ic50 = 9.221 uM P0F C15 H12 Cl F N4 O c1cc(cc(c1....
149 5R97 - RUY C7 H12 N4 O C1CCN(CC1)....
150 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
151 5R9O - 54F C11 H10 N2 O c1ccnc(c1)....
152 4AAC ic50 = 6.7 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
153 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
154 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
155 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
156 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
157 3LFN ic50 = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
158 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
159 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
160 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
161 6GUH Kd = 26 nM FB8 C18 H21 N5 O2 S Cc1ncc(n1C....
162 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
163 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
164 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
165 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
166 6Q4K - HHW C16 H12 Cl N O3 c1cc(cc(c1....
167 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
168 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
169 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
170 2DS1 ic50 = 3.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
171 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
172 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
173 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
174 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
175 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
176 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
177 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
178 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
179 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
180 6Q4C - HH8 C8 H5 Br N2 c1cc2c(ccn....
181 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
182 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
183 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
184 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
185 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
186 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
187 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
188 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
189 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
190 6Q48 - HHQ C5 H4 I N O C1C(=CC=NC....
191 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
192 5MHQ - 8QT C19 H27 N7 O CC[C@@H]([....
193 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
194 6Q4D - HHT C9 H9 Br O3 COc1cc(ccc....
195 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
196 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
197 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
198 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
199 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
200 6Q4F - 26D C5 H7 N3 c1cc(nc(c1....
201 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
202 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
203 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
204 6Q4I - HGK C13 H11 N O4 c1cc(ccc1C....
205 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
206 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
207 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
208 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
209 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
210 6Q4B - HHN C4 H3 Br N2 c1c(cncn1)....
211 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
212 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
213 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
214 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
215 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
216 6Q4J - HHB C12 H11 N3 O2 c1cc(cc(c1....
217 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
218 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
219 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
220 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
221 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
222 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
223 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
224 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
225 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
226 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
227 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
228 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
229 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
230 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
231 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
232 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
233 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
234 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
235 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
236 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
237 6Q4A - HGW C4 H3 I N2 c1c(cncn1)....
238 1H08 - BYP BWP n/a n/a
239 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
240 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
241 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
242 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
243 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
244 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
245 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
246 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
247 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
248 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
249 6Q3B - PYZ C3 H3 I N2 c1c(cn[nH]....
250 1PYE Ki = 386 nM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
251 6Q49 - HGQ C5 H4 Br N O C1=CNC(=O)....
252 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
253 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
254 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
255 6GUK Kd = 715 nM FC8 C19 H24 Cl N7 CCn1cnc2c1....
256 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
257 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
258 6Q4E Kd = 350 uM HH5 C5 H4 I N5 c1[nH]c2c(....
259 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
260 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
261 6Q4G Kd = 50 uM HJK C13 H11 N5 O2 c1cc(cc(c1....
262 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
263 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
264 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
265 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
266 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
267 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
268 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
269 5XVG Ki = 0.009 uM 8FX C20 H22 Cl N7 O C[C@@H]1CN....
270 5VED - STU C28 H26 N4 O3 C[C@@]12[C....
271 2X4Z Kd = 2.7 nM 7KC C25 H30 N8 O S Cc1nc2ccsc....
272 5XVA Ki = 0.051 uM 8FU C18 H20 Cl N7 O Cc1cc(n[nH....
273 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
274 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
275 6WLX - LYS LYS ARG LEU SER VAL GLU n/a n/a
276 2ZV2 - 609 C19 H10 N2 O3 c1ccc2c(c1....
277 4ONA ic50 = 0.002 uM UW1 C19 H23 N5 O2 CCOc1ccc2c....
278 4JBV ic50 = 0.003 uM V68 C26 H32 N6 O CC(C)COc1c....
279 3NYV - DTQ C16 H15 N3 O3 COc1cc2c(c....
280 3T3U Ki = 0.0025 uM BK6 C22 H24 N6 O COc1ccc2cc....
281 3KU2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
282 4M84 ic50 = 0.049 uM 21E C17 H19 N5 O CC(C)(C)n1....
283 3HX4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
284 3UPX Ki = 0.0075 uM B6A C20 H22 N4 O c1ccc(cc1)....
285 3SXF Ki = 0.0025 uM BK5 C20 H21 N5 O CCOc1ccc2c....
286 3T3V Ki = 0.003 uM BK4 C19 H19 N5 O CC(C)n1c2c....
287 3I7B ic50 = 0.066 uM BK1 C19 H19 N5 CC(C)n1c2c....
288 3V5P Ki = 0.0011 uM C88 C19 H24 N6 O Cc1cc(ccc1....
289 3V51 - I76 C25 H22 Cl N5 O CC(C)n1c2c....
290 3UPZ - B5A C11 H16 N6 c1c2c(ncnc....
291 3I7C ic50 = 0.018 uM BK2 C19 H19 N5 CC(C)(C)n1....
292 3V5T - UW9 C24 H30 N6 O CCOc1ccc2c....
293 3N51 - BK3 C22 H24 N6 c1ccc2c(c1....
294 6HME - FXB C21 H21 N O3 CC(C)n1c2c....
295 6HOP - FER C10 H10 O4 COc1cc(ccc....
296 5OTO - AQW C24 H23 Cl2 N3 CCc1ccccc1....
297 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
298 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
299 6RFF ic50 = 0.37 uM K1B C12 H6 Br N5 O4 S c1cc(c(cc1....
300 6EII - B5W C22 H23 Cl N c1ccc(cc1)....
301 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
302 5H8E Kd = 6.33 pM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
303 5OWH - B0K C10 H9 Br4 N3 c1nc2c(n1C....
304 6L1Z - E3U C16 H12 O6 c1cc(c(c2c....
305 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
306 5MOE Kd = 520 uM OQC C11 H10 Cl N O c1cc(c(cc1....
307 5OUE - AVZ C18 H19 Cl N3 c1ccc(cc1)....
308 5MOD Kd = 300 uM 86L C10 H14 Cl N O CC(C)Oc1cc....
309 6RB1 ic50 = 1.37 uM JWQ C14 H9 F3 N4 O3 S COc1cc(ccc....
310 6TEI - N4N C15 H11 N3 O2 S c1ccnc(c1)....
311 5OWL - B0K C10 H9 Br4 N3 c1nc2c(n1C....
312 6HBN - FXB C21 H21 N O3 CC(C)n1c2c....
313 5CU3 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
314 5OTR - AU8 C13 H12 Cl2 N c1ccc(cc1)....
315 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
316 5OSL - A9K C13 H12 Cl N O c1ccc(c(c1....
317 5N9N Ki = 0.41 nM KC5 C20 H15 Cl2 N O4 COc1ccc(cc....
318 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
319 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
320 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
321 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
322 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
323 5OTH - AQ8 C25 H26 Cl N3 O CCc1ccccc1....
324 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
325 6YPK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
326 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
327 5OTI - AOK C25 H26 Cl N3 CCc1ccccc1....
328 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
329 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
330 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
331 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
332 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
333 6YPH - N5Q C20 H14 N2 O3 S c1ccc2cc(c....
334 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
335 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
336 6RCM ic50 = 0.36 uM K0N C17 H18 N4 O3 S CC(C)(C)c1....
337 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
338 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
339 6SPX ic50 = 44 uM DAS ASP ASP ASP ASP ASP LYS 9AB n/a n/a
340 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
341 5N9L Ki = 15 nM 8QH C20 H15 Cl2 N O3 Cc1ccc(cc1....
342 5OT5 - AWK C25 H26 Cl N3 CCc1ccccc1....
343 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
344 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
345 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
346 5OQU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
347 6GIH - EZN C15 H13 Cl N2 c1cc(c2cc[....
348 6RFE ic50 = 0.28 uM K0Z C13 H9 Br N4 O3 S COc1cc(ccc....
349 6YPG - N5Q C20 H14 N2 O3 S c1ccc2cc(c....
350 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
351 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
352 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
353 3PE1 Ki = 0.223 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
354 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
355 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
356 5ORH Kd = 41 uM A4N C14 H14 Cl N Cc1ccccc1c....
357 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
358 2ZJW Ki = 0.02 uM REF C14 H6 O8 c1c2c-3c(c....
359 6HOU - V55 C8 H8 O3 COc1cc(ccc....
360 7A4C ic50 = 3.82 uM QWW C5 H Br3 N4 c12c(c(c(n....
361 6YPN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
362 5OSZ - AHK C24 H25 Cl N3 CCc1ccccc1....
363 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
364 5OT6 - AJK C19 H20 Cl N2 c1ccc(cc1)....
365 6EHK - AUW C24 H23 Cl2 N3 CCc1ccccc1....
366 6L24 - E3U C16 H12 O6 c1cc(c(c2c....
367 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
368 5OS8 - J27 C14 H14 Cl F N Cc1cc(ccc1....
369 5OTY - AUW C24 H23 Cl2 N3 CCc1ccccc1....
370 5OTD - AOW C24 H24 Cl N4 O2 CCc1ccccc1....
371 6GMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
372 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
373 6HNY - GHT C19 H19 N O4 CN1CCc2cc(....
374 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
375 5OUL - AWE C13 H11 Cl F N c1cc(cc(c1....
376 4XP0 - 42A C8 H5 N3 c1cc2c(c[n....
377 4QP2 Kd = 940 uM 36R C7 H5 Cl N2 O c1cc2c(cc1....
378 5NHF ic50 < 0.00032 uM 8X5 C23 H25 N5 O2 c1ccc(cc1)....
379 5BUJ ic50 = 0.005 uM 4VB C16 H15 N5 O c1cnccc1c2....
380 6G9J ic50 = 4.1 nM ERK C27 H28 Cl N5 O3 C[C@H](c1c....
381 5BUI ic50 = 0.089 uM 4V9 C17 H15 F N4 c1ccnc(c1)....
382 4QP7 ic50 = 5.9 uM 363 C9 H7 N5 c1c[nH]c2c....
383 3ERK ic50 = 18 uM SB4 C18 H19 F N6 c1cc(ccc1c....
384 6GDQ - EVK C21 H22 Cl2 N4 O2 CC(C)Nc1cc....
385 5V60 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
386 6QA1 - HVK C5 H6 N2 c1ccnc(c1)....
387 1TVO Ki = 0.14 uM FRZ C18 H13 N7 c1ccc(cc1)....
388 6G9A ic50 = 21 nM ESQ C23 H28 Cl N5 O3 c1cc2c(cc1....
389 5BVD ic50 = 0.16 nM 4VF C24 H26 Cl N5 O3 c1cc(cc(c1....
390 4ZZN ic50 = 0.26 uM CQ8 C18 H21 Cl N4 O2 CNC(=O)c1c....
391 3SA0 - NRA C13 H8 O6 c1c(cc2c(c....
392 4ERK ic50 = 27 uM OLO C15 H18 N6 O Cn1cnc2c1n....
393 6GJD ic50 = 0.022 uM F0E C46 H55 N11 O5 c1cnc(nc1)....
394 5U6I - 81Y C19 H22 N4 O2 CC(C)Oc1cc....
395 5NHV ic50 = 0.0028 uM 8QB C16 H19 N5 O2 c1cnc(nc1c....
396 6QAL - HV2 C3 H6 O3 S C1C(CS1(=O....
397 3I5Z Ki = 2 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
398 6QA4 - HRZ C5 H5 N O C1=CC(=O)N....
399 4N0S - DHC C9 H8 O4 c1cc(c(cc1....
400 5NHP ic50 = 0.023 uM 8XK C19 H23 N7 O2 Cn1c(ccn1)....
401 3I60 Ki < 2 nM E86 C24 H22 Cl N5 O2 Cc1cnc(nc1....
402 4XP2 - TT4 C8 H9 N5 c1ccc(cc1)....
403 1PME Ki = 0.76 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
404 6Q7T - HOW C3 H4 N2 O c1conc1N
405 5NHL ic50 < 0.0003 uM 8XB C20 H25 N7 O2 Cc1cnc(nc1....
406 5HD4 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
407 6G97 ic50 = 4.2 nM EQZ C20 H23 Cl N4 O3 COCCN1Cc2c....
408 6G92 ic50 = 76000 nM ERZ C10 H13 N5 Cc1cnc(nc1....
409 5K4I ic50 = 3.1 nM 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
410 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
411 1JNK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
412 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
413 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
414 5IZF Kd = 0.18 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
415 6YPS - P72 C7 H8 N2 O [H]/N=C(c1....
416 6Z44 - IPH C6 H6 O c1ccc(cc1)....
417 6SPU - GAB C7 H7 N O2 c1cc(cc(c1....
418 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
419 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
420 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
421 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
422 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
423 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
424 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
425 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
426 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
427 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
428 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4