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Receptor
PDB id Resolution Class Description Source Keywords
3OG7 2.45 Å EC: 2.7.11.1 B-RAF KINASE V600E ONCOGENIC MUTANT IN COMPLEX WITH PLX4032 HOMO SAPIENS B-RAF BRAF PROTO-ONCOGENE V600E KINASE TRANSFERASE TRATRANSFERASE INHIBITOR COMPLEX
Ref.: CLINICAL EFFICACY OF A RAF INHIBITOR NEEDS BROAD TA BLOCKADE IN BRAF-MUTANT MELANOMA. NATURE V. 467 596 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
032 A:1;
Valid;
none;
submit data
489.922 C23 H18 Cl F2 N3 O3 S CCCS(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XV1 2.47 Å EC: 2.7.11.1 B-RAF KINASE V600E ONCOGENIC MUTANT IN COMPLEX WITH PLX7904 HOMO SAPIENS B-RAF BRAF PROTO-ONCOGENE V600E KINASE TRANSFERASE TRATRANSFERASE INHIBITOR COMPLEX
Ref.: RAF INHIBITORS THAT EVADE PARADOXICAL MAPK PATHWAY ACTIVATION. NATURE V. 526 583 2015
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4XV2 ic50 = 0.0054 uM P06 C23 H20 F3 N5 O2 S2 CC(C)(C)c1....
2 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
3 4XV9 ic50 = 0.19 uM 1OO C21 H11 Cl F5 N3 O3 S c1cc(ccc1C....
4 5ITA - 6DC C19 H19 N5 O3 S CCCS(=O)(=....
5 5JRQ - 6N9 C24 H23 F2 N3 O4 S CCCS(Nc1cc....
6 4XV1 ic50 = 0.0042 uM 904 C24 H22 F2 N6 O3 S CCN(C)S(=O....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4XV2 ic50 = 0.0054 uM P06 C23 H20 F3 N5 O2 S2 CC(C)(C)c1....
2 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
3 4XV9 ic50 = 0.19 uM 1OO C21 H11 Cl F5 N3 O3 S c1cc(ccc1C....
4 5ITA - 6DC C19 H19 N5 O3 S CCCS(=O)(=....
5 5JRQ - 6N9 C24 H23 F2 N3 O4 S CCCS(Nc1cc....
6 4XV1 ic50 = 0.0042 uM 904 C24 H22 F2 N6 O3 S CCN(C)S(=O....
7 5VAM - 92J C28 H29 F3 N4 O4 Cc1c(cc(cn....
8 5JSM ic50 = 260 nM 6NB C52 H48 F4 N6 O10 S2 CCCS(=O)(=....
9 4CQE Kd < 3 nM CQE C30 H28 F3 N5 O3 S2 CC(=O)Nc1c....
10 5VAL - 92D C26 H30 N4 O2 Cc1ccc(cc1....
11 5HID - B1E C27 H25 N5 O2 Cc1ccc(cc1....
50% Homology Family (765)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5UGX - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 3B2T - M33 C11 H17 N5 O9 P2 C[P@](=O)(....
3 1OEC - AA2 C25 H30 Cl N5 O CC(C)(c1cc....
4 4J96 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
5 2PZP - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 4J98 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
7 2PVY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
8 2PY3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
9 2PZ5 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
10 2PWL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
11 5UGL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 5UI0 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
13 3CLY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
14 3RI1 ic50 = 1.23 uM 3RH C18 H15 N3 c1ccc(cc1)....
15 1Y6B ic50 = 38 nM AAX C25 H24 N4 O4 S COc1ccc(cc....
16 3VHE ic50 = 6.2 nM 42Q C21 H15 F4 N5 O2 Cn1ccc2c1c....
17 1Y6A ic50 = 0.022 uM AAZ C23 H21 N3 O4 S CCS(=O)(=O....
18 3IK3 ic50 = 2 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
19 3QRJ ic50 = 4 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
20 3OY3 ic50 = 35.8 nM XY3 C29 H31 F3 N6 O3 Cc1ccc(cc1....
21 5HU9 ic50 = 25 nM 66K C32 H36 F3 N5 O3 Cc1ccc(cc1....
22 2G2H Ki ~ 1 uM P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
23 6BL8 - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
24 3PYY - 3YY C18 H13 F N4 O2 c1ccc(cc1)....
25 1OPJ - MYR C14 H28 O2 CCCCCCCCCC....
26 3CS9 ic50 < 33 uM NIL C28 H22 F3 N7 O Cc1ccc(cc1....
27 3MSS - STI C29 H31 N7 O Cc1ccc(cc1....
28 3KFA ic50 = 25 nM B91 C29 H25 F3 N8 O Cc1ccc(cc1....
29 3MS9 - MS9 C8 H8 Cl N O2 COC(=O)c1c....
30 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
31 4WA9 Ki = 3800 pM AXI C22 H18 N4 O S CNC(=O)c1c....
32 4XLI Kd = 0.17 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
33 2HYY ic50 = 170 nM STI C29 H31 N7 O Cc1ccc(cc1....
34 2HZI ic50 = 70 nM JIN C21 H15 Cl2 F N4 O Cc1cc(ccc1....
35 3KF4 ic50 < 0.5 nM B90 C23 H22 N7 O P Cc1ccc2c(c....
36 3K5V - STI C29 H31 N7 O Cc1ccc(cc1....
37 2HZ0 ic50 = 330 nM GIN C23 H22 F3 N3 O2 CCCc1ccc(c....
38 6HD4 - FYW C21 H18 F3 N5 O3 c1cc(ccc1N....
39 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
40 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
41 4TWP Ki = 100 pM AXI C22 H18 N4 O S CNC(=O)c1c....
42 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
43 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
44 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
45 6HD6 - FYH C19 H19 F3 N2 O3 c1cc(cc(c1....
46 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
47 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
48 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
49 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
50 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
51 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
52 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
53 5NK3 Kd = 38.02 nM 92Q C22 H22 Cl N5 O2 S Cc1cccc(c1....
54 5NKB Kd = 0.759 nM 8ZT C25 H28 Cl N5 O3 S Cc1cccc(c1....
55 5IA3 Kd = 46 nM P17 C21 H16 Cl2 N4 O S CN1c2c(cnc....
56 5I9V - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
57 5NK8 Kd = 0.229 uM 90Z C27 H32 Cl N5 O3 S Cc1cccc(c1....
58 5I9Z Kd = 9 nM 627 C26 H30 N6 O3 CN1CCN(CC1....
59 5IA5 Kd = 25 nM GV0 C33 H37 F2 N7 O4 CN1CCN(CC1....
60 5I9W - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
61 5NK4 Kd = 1.995 nM 90E C23 H22 Cl F2 N5 O2 S Cc1cccc(c1....
62 5IA2 Kd = 19 nM L66 C22 H19 N5 O4 Cc1ccc(cc1....
63 5NKA Kd = 3.47 uM 91H C25 H25 Cl N4 O4 S Cc1cccc(c1....
64 5NKI Kd = 18.62 nM 8ZW C22 H23 Cl N4 O4 S2 Cc1cccc(c1....
65 5NK6 Kd = 0.158 uM 90W C24 H25 Cl N4 O3 S Cc1cccc(c1....
66 5I9X Kd = 30 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
67 6FNG Kd = 73 nM DWT C26 H20 F3 N7 O Cc1ccc(cc1....
68 5NKH Kd = 25.7 nM 8ZQ C29 H29 Cl N6 O2 S Cc1cccc(c1....
69 5IA1 Kd = 530 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
70 5NK2 Kd = 0.182 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
71 5IA0 Kd = 187 nM A5B C27 H20 Cl F N4 O4 COc1cccc(c....
72 5I9Y Kd = 2.8 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
73 5NK9 Kd = 0.724 uM 912 C25 H29 Cl N4 O3 S Cc1cccc(c1....
74 1MQB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
75 5NK5 - 90K C24 H20 Cl N5 O2 S Cc1cccc(c1....
76 5NKG Kd = 20.89 nM 8ZK C25 H28 Cl N5 O2 S CCc1cc(cc(....
77 5NJZ Kd = 16.6 nM 8ZH C23 H24 Cl N5 O2 S Cc1cccc(c1....
78 6FNH - DXK C11 H10 N6 Cn1c2c(cn1....
79 5NKF - 8ZN C24 H23 Cl F3 N5 O2 S Cc1cccc(c1....
80 5NK0 - 91E C23 H26 Cl N5 O2 S Cc1cccc(c1....
81 5NKE - 90B C23 H23 Br Cl N5 O2 S Cc1cccc(c1....
82 5NK7 Kd = 0.467 uM 8ZZ C23 H23 Cl F N5 O2 S Cc1cccc(c1....
83 5NK1 - 90N C22 H19 Cl N8 O2 S Cc1cccc(c1....
84 5NKD Kd = 26.3 nM 91K C24 H23 Cl N4 O4 S Cc1cccc(c1....
85 6FNF Kd = 13 nM DXH C26 H20 F3 N7 O Cc1ccc(cc1....
86 5NKC Kd = 18.62 nM 90T C23 H21 Cl N4 O4 S Cc1cccc(c1....
87 5IA4 Kd = 52 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
88 5VED - STU C28 H26 N4 O3 C[C@@]12[C....
89 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
90 5XVA Ki = 0.051 uM 8FU C18 H20 Cl N7 O Cc1cc(n[nH....
91 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
92 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
93 5BMM Ki = 0.01 uM FUM ALC PFF PPN ORN n/a n/a
94 3G6H ic50 = 4.6 nM G6H C32 H28 F3 N7 O4 Cc1ccc(cc1....
95 4FIC ic50 = 20 uM 0UL C11 H9 N5 c1ccc(cc1)....
96 3DQX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
97 4MXO Kd = 0.73 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
98 3F6X - IHH C22 H19 N7 c1ccc2c(c1....
99 3G6G ic50 = 18 nM G6G C35 H37 N9 O2 Cc1ccc(cc1....
100 3U51 ic50 = 25 uM 08X C38 H49 N9 O7 c1ccc(cc1)....
101 3F3T ic50 = 64.1 uM 1AU C24 H25 N5 O CC(C)(C)c1....
102 3EL8 ic50 = 25 nM PD5 C22 H20 F3 N7 O CC(C)n1c2c....
103 4LGG ic50 = 4 nM VGG C17 H21 N5 Cc1cccc(c1....
104 2OIQ Kd = 42 uM STI C29 H31 N7 O Cc1ccc(cc1....
105 4YBK Kd = 15 nM 4B7 C27 H29 N7 O3 S Cc1nc(cc(n....
106 1YOL - S03 C25 H27 N5 O2 COc1cccc(c....
107 3F3U ic50 < 1 uM 1AW C20 H23 N5 O CC(C)(C)c1....
108 3U4W ic50 = 0.13 uM 08L C36 H46 N8 O8 c1ccc(cc1)....
109 4O2P Ki = 0.2 uM 11V C25 H27 Cl N6 O S c1ccc(cc1)....
110 2BDJ ic50 = 0.00045 uM HET C26 H30 N5 O2 P CP(=O)(C)c....
111 2BDF ic50 = 0.067 uM 24A C20 H28 N6 O5 P2 CCn1cnc2c1....
112 3GEQ - PP2 C15 H17 Cl N5 CC(C)(C)n1....
113 3EN6 ic50 = 0.235 uM KS5 C17 H16 N6 CC(C)n1c2c....
114 3UQG - B5A C11 H16 N6 c1c2c(ncnc....
115 3UQF Ki = 0.2 uM BK5 C20 H21 N5 O CCOc1ccc2c....
116 4U5J ic50 = 2.92 uM RXT C17 H18 N6 c1c[nH]c2c....
117 3G5D ic50 = 0.0004 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
118 3DQW - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
119 5HES ic50 = 4 nM 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
120 4ZSA ic50 = 15 nM 4UT C27 H29 N5 O2 CCN1CCN(CC....
121 5Z0S - 960 C16 H11 Cl N8 O2 S Cn1cc(cn1)....
122 5B7V ic50 = 9.3 nM LWJ C20 H16 N6 O Cc1[nH]c2c....
123 3JS2 - VM1 C10 H7 N O2 S c1cc(sc1)c....
124 5A4C Kd = 5.7 nM XOJ C27 H39 N7 O3 CCN(CC)CCC....
125 5O4A - 9K8 C19 H20 F N5 O7 S CCc1ccc(cc....
126 5AM7 Kd = 64.5 nM 38O C21 H21 F N6 O CN1CCN(CC1....
127 1FGI - SU1 C17 H16 N2 O3 Cc1c[nH]c(....
128 4V04 Kd = 7.7 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
129 4RWL Kd = 8 nM 3ZC C26 H25 N3 O4 CNC(=O)c1c....
130 4NKS Kd = 69.1 nM 2M2 C20 H21 N7 O Cc1cc(on1)....
131 4F64 ic50 = 63 nM 0S8 C16 H20 Br N7 O2 Cc1cc(on1)....
132 5EW8 - 5SF C25 H30 N6 O2 CC(C)NCCN(....
133 4RWJ Kd = 2 nM 66T C26 H33 N5 O3 C[C@@H]1CN....
134 3RHX ic50 = 0.84 uM 3RH C18 H15 N3 c1ccc(cc1)....
135 4NKA Kd = 447 nM 2K7 C22 H25 N7 O3 Cc1cc(on1)....
136 2FGI Ki = 36.4 nM PD1 C28 H41 N7 O3 CCN(CC)CCC....
137 3C4F ic50 = 1.9 uM C4F C15 H14 N2 O COc1cccc(c....
138 1AGW - SU2 C20 H21 N3 O2 c1ccc2c(c1....
139 5UR1 ic50 = 1.06 nM YY9 C31 H35 Cl2 N7 O4 CN(C)C/C=C....
140 4F65 ic50 = 2.5 nM 0S9 C20 H20 Br N7 O Cc1cc(on1)....
141 5AM6 Kd = 185 nM 38O C21 H21 F N6 O CN1CCN(CC1....
142 2OH4 ic50 = 3.5 nM GIG C23 H17 F4 N5 O4 COC(=O)Nc1....
143 3CP9 - C19 C24 H23 N5 O CC1=C(C(=O....
144 6GQO - F82 C25 H27 N5 O5 CC(C)n1cc(....
145 3BE2 ic50 = 2 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
146 2P2H ic50 = 68 nM 994 C23 H22 N6 O3 COc1cc(cc(....
147 4AG8 Ki = 1.1 nM AXI C22 H18 N4 O S CNC(=O)c1c....
148 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
149 6GQQ - F8B C23 H24 N6 O4 CC(C)c1cn(....
150 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
151 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
152 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
153 3WZE Kd = 33 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
154 1YWN ic50 ~ 0.003 uM LIF C27 H19 F4 N5 O3 COc1ccc(cc....
155 3WZD Kd = 2.1 nM LEV C21 H19 Cl N4 O4 COc1cc2c(c....
156 5EW3 ic50 = 0.0012 uM 5T2 C20 H16 F3 N3 O c1ccc(c(c1....
157 3CJF ic50 = 6.3 nM SAV C21 H22 N6 O3 Cc1c2ccc(c....
158 2QU6 Ki = 3 nM 857 C26 H26 Cl N5 O4 CNC(=O)c1c....
159 3U6J - 03X C29 H25 F N4 O5 CC1=C(C(=O....
160 3EWH ic50 = 69 nM K11 C28 H20 F3 N7 O CNc1nccc(n....
161 2P2I ic50 = 38 nM 608 C24 H20 N4 O2 c1ccc(cc1)....
162 3C7Q ic50 = 21 nM XIN C31 H33 N5 O4 CN1CCN(CC1....
163 6GQP - F88 C23 H23 N5 O4 CCn1cc(cn1....
164 6DKI - GOD C20 H19 F5 N4 O4 CNC(=O)c1c....
165 5JFV ic50 = 6 nM 6K1 C23 H21 Cl N6 O2 CC(C)n1cc(....
166 5KMJ - 6UF C20 H17 N3 O S c1ccc2c(c1....
167 6D1Z - FQM C22 H17 Cl N6 O2 c1ccc(cc1)....
168 6D20 - FQG C26 H23 Cl2 N5 O3 CC(C)(CNC(....
169 4YNE - 4EK C21 H18 F N5 c1ccnc(c1)....
170 5KMK - 6UG C20 H13 F5 N2 O Cc1ccc(c(n....
171 4PMM ic50 = 662 nM 31V C27 H26 N8 O2 Cc1cn(cn1)....
172 4PMP ic50 = 4233 nM 31W C21 H18 F3 N3 O2 S c1cc(cc(c1....
173 5H3Q ic50 = 6 nM 7HF C26 H31 F2 N5 O3 CCOc1c(c(n....
174 6D1Y - FQJ C17 H13 Cl2 N3 O Cc1cc(n(n1....
175 5KMI - 6UE C25 H20 N4 O Cc1ncc(c(n....
176 5KML - 6UH C19 H16 F3 N3 O2 Cc1c(c(no1....
177 4PMT ic50 = 997 nM 31Y C23 H23 N7 O c1cc(cnc1)....
178 5KMM - 6UJ C22 H18 N4 O Cc1ncc(c(n....
179 4YPS - 4F6 C23 H18 F N5 O c1cc(cc(c1....
180 5JFW ic50 = 62 nM 6K2 C24 H20 N6 O2 CC(C)n1cc(....
181 5JFX ic50 = 6 nM 6K4 C23 H22 Cl N7 O3 CC(C)(CO)n....
182 5KMN - 6UK C20 H17 F3 N4 O Cc1ncc(c(n....
183 5JFS ic50 = 2 nM 6K0 C22 H19 F2 N7 O2 CC(C)n1cc(....
184 4F1T - H52 C16 H21 N3 O2 S Cc1cncc2c1....
185 4YZN ic50 = 15.4 uM 4K5 C20 H21 F4 N5 O3 COc1cc(c(c....
186 4F1M - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
187 4F1O - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
188 4F0F - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
189 4KS8 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
190 2WGJ Ki = 0.002 uM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
191 4DEH ic50 = 612 nM 0JK C21 H17 N5 O c1ccc(cc1)....
192 4IWD ic50 = 1 nM 1JC C29 H28 N6 O3 S c1ccnc(c1)....
193 3F82 ic50 = 3.9 nM 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
194 5YA5 ic50 = 0.19 uM 6TD C19 H15 N5 O S COc1ccc(cc....
195 4XYF - 44X C24 H22 F N5 O3 Cc1cc(on1)....
196 2RFS - AM8 C23 H22 Cl N3 O3 S Cc1c(c([nH....
197 4R1V ic50 = 400 nM 3E8 C29 H28 N6 O2 CN1CCC(CC1....
198 3CTH ic50 = 0.035 uM 319 C20 H16 F2 N4 O3 c1cc(ccc1C....
199 4AOI Ki = 0.004 uM 4K0 C19 H12 N8 c1cc2c(c[n....
200 3DKC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
201 4XMO ic50 = 2 nM 46G C22 H17 F2 N5 O2 Cc1cc(on1)....
202 4R1Y ic50 < 1 nM 3EH C26 H34 N4 O5 S CCN(CC)CCC....
203 4GG5 ic50 = 0.93 nM 0J3 C22 H22 F3 N5 O2 CN1CCN(CC1....
204 4AP7 Ki = 0.011 uM F47 C17 H12 F N5 O c1cc(ccc1C....
205 3Q6W Kd = 27 nM Q6W C31 H30 N6 O2 c1ccnc(c1)....
206 3CD8 ic50 = 9 nM L5G C22 H17 N5 O2 COc1ccc2c(....
207 4EEV ic50 = 42 nM L1X C30 H22 F2 N6 O3 CC1=CC=C(C....
208 3RHK ic50 = 520 nM M97 C23 H16 N3 O2 c1ccc2c(c1....
209 4GG7 ic50 = 6.5 nM 0J8 C23 H21 F3 N8 O2 c1cc(cc(c1....
210 3ZZE Ki = 0.0013 uM 6XP C18 H18 Cl N3 O3 Cc1ccc(c2c....
211 3U6I - 044 C30 H27 F N4 O5 CC1=C(C(=O....
212 4DEI ic50 = 1 nM 0JL C23 H22 N6 O3 S Cc1cc(sn1)....
213 2WD1 ic50 = 82 nM ZZY C14 H10 N4 O5 S c1ccc(c(c1....
214 3CE3 ic50 = 1.8 nM 1FN C25 H16 F2 N4 O3 c1cc(ccc1N....
215 3LQ8 ic50 = 0.4 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
216 3EFK Ki = 14 nM MT4 C28 H22 F2 N4 O4 CN1C(=O)C(....
217 3ZCL Ki = 0.0101 uM 5TF C17 H19 N7 C[C@@H](c1....
218 5UAB - 84M C16 H13 N7 O S c1ccn2c(c1....
219 5UAD - 84P C21 H19 N9 O Cn1cc(cn1)....
220 3ZC5 Ki = 0.0103 uM W9Z C20 H17 N7 C[C@@H](c1....
221 3U6H Ki = 1 nM 03X C29 H25 F N4 O5 CC1=C(C(=O....
222 3ZBX Ki = 0.006 uM 6XE C20 H13 F N6 c1cc2cc(cc....
223 1R0P Kd = 10 nM KSA C27 H21 N3 O5 C[C@@]12[C....
224 5HOR ic50 = 6 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
225 5HO6 ic50 = 204 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
226 3VW8 - DF6 C26 H23 N3 O4 S COc1cc2c(c....
227 3L8V ic50 = 0.008 uM L8V C23 H16 F3 N5 O2 c1cc(c(nc1....
228 5EYD ic50 = 1 nM 5T1 C23 H22 F N7 O3 C[C@H](c1n....
229 4DEG ic50 = 6 nM 0JJ C19 H16 N8 O S Cc1cc(sn1)....
230 5HLW ic50 = 23 nM 62E C26 H28 N8 O S3 CCN1CCC(CC....
231 5HNI ic50 = 10 nM 63B C20 H14 F N7 O2 S COC(=O)Nc1....
232 3R7O - M61 C28 H32 N6 O5 S CN(C[C@@H]....
233 3DKG - SX8 C18 H13 N7 S Cn1cc(cn1)....
234 5EOB ic50 = 0.24 nM 5QQ C20 H11 F3 N6 c1cc2cc(cc....
235 5HOA ic50 = 64 nM 63K C25 H23 F N8 O2 S2 c1cc(ccc1c....
236 5UAF - 84P C21 H19 N9 O Cn1cc(cn1)....
237 3ZXZ Ki = 0.005 uM KRW C19 H16 N8 O c1cc2cc(cc....
238 3DKF ic50 = 4 nM SX8 C18 H13 N7 S Cn1cc(cn1)....
239 5EYC ic50 = 3 nM 5SZ C20 H15 F N6 O2 Cc1cc(on1)....
240 3CTJ ic50 = 0.11 uM 320 C22 H16 F2 N4 O3 c1cc(ccc1C....
241 2RFN ic50 = 5 nM AM7 C35 H35 F N4 O5 CN1C(=NC=C....
242 3QTI ic50 = 14 nM 3QT C20 H16 N6 Cn1cc(cn1)....
243 3CCN ic50 = 120 nM LKG C18 H14 N4 O c1ccc(cc1)....
244 3F66 ic50 = 0.9 uM IHX C20 H19 F3 N4 O CN1CCN(CC1....
245 2WKM ic50 = 9 nM PFY C32 H34 Cl2 N4 O4 S Cc1c([nH]c....
246 3I5N ic50 = 17 nM B2D C21 H17 N7 O COc1cc2c(c....
247 4KNB ic50 = 0.047 uM 1RU C23 H22 Cl2 F N5 O2 C[C@H](c1c....
248 3TUC ic50 = 100 nM FPW C29 H24 N4 O5 COc1cc2c(c....
249 4YJQ - 4DK C24 H23 N7 O2 Cc1c(ocn1)....
250 4I0R ic50 = 14 nM 1B4 C19 H22 N4 O4 CC(C)NC(=O....
251 4YJP - 4DL C20 H19 N7 O3 S c1cc2c(cn[....
252 5C27 - GLU VAL TYR GLU SER n/a n/a
253 5LMB ic50 = 16 nM 6ZF C20 H25 N7 CN(C)c1ccc....
254 5TR6 ic50 = 3.2 nM 7KG C17 H21 F N6 O Cn1cc(cn1)....
255 5Y5U ic50 = 17.7 nM 8OU C20 H21 N7 O2 Cn1c2ccc(c....
256 4XG4 ic50 = 21.5 nM X4G C24 H30 F N5 O3 Cc1cc(cc(c....
257 4WNM Ki = 18 nM 3RT C24 H29 N7 O2 c1cc(n2c(c....
258 4YJT - 4DQ C20 H18 F N7 O2 S CCN(c1cccc....
259 4PV0 Kd = 4 nM CG4 C28 H23 N5 O5 COc1ccc(cc....
260 4FYO ic50 = 47 nM 0VF C25 H24 N6 O5 S COc1ccc(cc....
261 5LMA ic50 = 0.25 uM 6ZG C18 H21 N5 Cc1ccc(cc1....
262 5Y5T ic50 = 211 nM 8OR C20 H24 N6 O3 S CS(=O)(=O)....
263 3FQE Ki = 0.02 uM P5C C18 H24 N6 O Cc1cccc(c1....
264 4FYN - 0VE C22 H23 N5 O2 CCN(CCO)c1....
265 4I0T ic50 = 26 nM 1B6 C18 H22 N6 O CC(C)(C)NC....
266 4YJS - 4DN C21 H21 N7 O3 S c1cc2c(cn[....
267 4FL1 Kd = 520 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
268 4RX8 ic50 = 35 nM 3YX C18 H22 N8 O c1cc2cc[nH....
269 5CXZ ic50 = 552 nM 55U C19 H23 N5 CN(C)c1ccc....
270 5TT7 ic50 = 13 nM 7KF C19 H24 N6 O Cc1cccc(c1....
271 5CY3 ic50 = 16 nM 55Y C16 H16 N4 O3 S C[C@H]([C@....
272 3TUD ic50 = 2.1 nM FPX C29 H22 F3 N5 O2 Cc1ccc(cc1....
273 4FZ6 ic50 = 127 nM 0VG C22 H22 N6 C[C@H]1CCC....
274 4YJU - 4DO C19 H16 F N7 O2 S CN(c1cccc2....
275 6HM6 ic50 = 3.16 uM GDK C18 H16 N2 O Cc1ccc(cc1....
276 4XG6 ic50 = 9.7 nM X6G C20 H24 N6 O Cc1cc(cc(c....
277 3VF9 ic50 = 358.2 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
278 3FQH ic50 = 0.57 uM 057 C21 H22 N4 O2 CC(C)(CO)N....
279 3FQS ic50 = 0.041 uM 585 C22 H23 F N6 O5 CC1(C(=O)N....
280 4DFL ic50 = 2.4 uM 0K0 C18 H24 N6 O3 S CS(=O)(=O)....
281 5TIU ic50 = 5 nM 7CU C16 H18 N6 O C[C@@H](CN....
282 1XBC ic50 = 0.012 uM STU C28 H26 N4 O3 C[C@@]12[C....
283 4PUZ ic50 = 7.7 nM CG9 C23 H21 N7 O c1cc(ccc1N....
284 4XG3 ic50 = 17.5 nM X3G C23 H28 F N5 O4 S Cc1cc(cc(c....
285 4XG7 ic50 = 32.6 nM X7G C20 H22 N8 O Cc1c(cn(n1....
286 6HM7 ic50 = 79.4 nM GDH C24 H26 N2 O2 Cc1ccnc(c1....
287 3TUB ic50 = 320 nM FPU C26 H24 N4 O4 COc1cc2c(c....
288 4XG8 ic50 = 1.9 nM X8G C20 H21 Cl N8 O Cc1c(cn(n1....
289 1XBB Ki = 5 uM STI C29 H31 N7 O Cc1ccc(cc1....
290 4F4P ic50 = 0.6 nM 0SB C21 H20 F3 N5 c1cc(cc(c1....
291 4RX7 ic50 = 5 nM 3YV C18 H22 N10 O c1cc(cc(c1....
292 4YJO - 4DF C20 H18 Cl N7 O2 S CCN(c1cccc....
293 4RSS ic50 = 1.7 nM 4MG C23 H27 N7 O Cc1c(n(c2c....
294 5CXH ic50 = 5 nM 55M C20 H21 N3 O4 S C[C@H]([C@....
295 3VF8 ic50 = 150 nM 0JE C17 H21 F N6 O2 CCN(CC)C(=....
296 5C26 ic50 = 0.17 uM 50H C21 H19 N5 O3 COc1ccc(cc....
297 4PX6 ic50 = 4 nM 2X6 C21 H23 N7 O c1cc2cc[nH....
298 4RX9 ic50 = 19 nM 3YT C19 H23 N9 O c1cc(cc(c1....
299 4DFN ic50 = 0.04 uM 0K1 C25 H28 N6 O2 Cn1cc(cn1)....
300 4YJR - 4DJ C22 H22 N8 O Cn1c2ccc(c....
301 4I0S ic50 = 36 nM 1B5 C18 H17 Cl N6 O CC(C)NC(=O....
302 4GK3 - L87 C19 H21 N5 O2 CCCCn1c(cn....
303 3FY2 - LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP n/a n/a
304 4TWO ic50 = 8000 nM 37W C19 H22 N2 O4 S Cc1ccc(cc1....
305 4P4C - 25Q C18 H15 N5 O2 COc1cccc(c....
306 4GK2 - L66 C22 H19 N5 O4 Cc1ccc(cc1....
307 4TWN - B96 C31 H37 N5 O3 Cc1ccc(cc1....
308 2QOQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
309 4GK4 - L90 C20 H21 N7 O2 CCCCn1c(cn....
310 3FXX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
311 2QO7 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
312 4P5Q - Q0B C22 H22 Cl N5 O2 CCOCCCNC(=....
313 2QOC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
314 4P5Z Kd = 39.3 nM Q7M C25 H18 F3 N7 O2 c1ccc2c(c1....
315 2QO9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
316 4XV2 ic50 = 0.0054 uM P06 C23 H20 F3 N5 O2 S2 CC(C)(C)c1....
317 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
318 4XV9 ic50 = 0.19 uM 1OO C21 H11 Cl F5 N3 O3 S c1cc(ccc1C....
319 5ITA - 6DC C19 H19 N5 O3 S CCCS(=O)(=....
320 5JRQ - 6N9 C24 H23 F2 N3 O4 S CCCS(Nc1cc....
321 4XV1 ic50 = 0.0042 uM 904 C24 H22 F2 N6 O3 S CCN(C)S(=O....
322 4EWH Ki = 0.0003 uM T77 C26 H29 N5 O S2 CN(C)CCOc1....
323 3EQP - T95 C33 H38 N6 O4 CCOc1ccccc....
324 1U4D - DBQ C11 H11 N5 O2 c1c[nH]c2c....
325 3EQR Ki = 0.002 uM T74 C29 H38 N8 O Cc1cccc(c1....
326 5ZXB ic50 = 8 nM 9KO C33 H32 F3 N9 O3 Cc1ccc(cc1....
327 1U59 ic50 = 55.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
328 5DA3 ic50 = 80 nM 58V C23 H22 Cl N7 O2 c1cc(c(cc1....
329 6CZ4 ic50 = 0.076 uM FKY C24 H23 F4 N5 O4 Cn1cc(nc1)....
330 6CZ3 ic50 = 0.056 uM FLJ C21 H20 F N7 O2 Cc1cn2c(cn....
331 4OTF ic50 = 0.006 uM 2VL C33 H36 N6 O3 S Cc1c(cccc1....
332 5BQ0 ic50 = 15 nM 4US C25 H23 Cl N4 O2 CN1CCN(CC1....
333 3PIZ ic50 = 3.5 uM 03C C23 H26 N4 O3 S Cc1ccccc1n....
334 5JRS ic50 = 30 nM 6MV C30 H23 F N4 O3 CC(C)(c1cc....
335 6E4F ic50 = 2.5 nM HRA C25 H23 Cl N4 O4 c1ccc(cc1)....
336 5FBO ic50 = 0.31 nM 5WH C29 H27 F4 N7 O2 C[C@H]1CC[....
337 5KUP ic50 = 7.5 nM 6XL C28 H26 F N7 O3 CC(C)(C)c1....
338 3GEN - B43 C23 H22 N4 O c1ccc(cc1)....
339 4NWM ic50 = 0.038 uM 2P5 C34 H35 N7 O3 Cc1c(cccc1....
340 5P9H - 7G7 C34 H37 F N8 O3 CC(C)(C)c1....
341 4RFY ic50 = 100 nM 3OU C34 H36 N6 O5 CN1C=C(C=C....
342 4OT5 - 481 C35 H37 N7 O2 CC(C)(C)c1....
343 4ZLY ic50 = 3.5 uM 4RU C9 H8 N4 O c1ccc2c(c1....
344 5U9D ic50 = 0.00055 uM 83P C27 H24 N6 O3 CNC(=O)[C@....
345 4OTQ - 2V2 C27 H29 N5 O3 Cc1c(cccc1....
346 5VGO Ki = 1.28 nM 9B1 C29 H29 N5 O3 S CC1(Cc2c3c....
347 3PJ3 ic50 = 5.6 uM 04L C29 H23 N5 O2 Cc1ccc(cc1....
348 3PIX ic50 = 0.1 uM 027 C20 H27 N7 O Cc1cc(n[nH....
349 5P9G - 7G6 C35 H35 F N6 O3 CN1CCN(CC1....
350 3PJ2 ic50 = 7.2 uM 04K C26 H28 F N5 O3 CCN(CC)CCO....
351 5VFI Ki = 0.91 nM 9AJ C37 H44 N8 O4 C[C@H]1CN(....
352 5T18 ic50 = 0.5 nM 73T C32 H30 F2 N4 O4 Cc1c(cccc1....
353 5P9I - 1E8 C25 H24 N6 O2 C=CC(=O)N1....
354 4Z3V ic50 = 4 nM 4L6 C17 H14 N6 O Cc1cc2cn[n....
355 4RG0 ic50 = 50 nM 3P0 C36 H38 F N7 O3 CC(C)(C#N)....
356 5BPY - 4UQ C33 H40 N6 O4 CC(C)(C)c1....
357 5FBN ic50 = 0.17 nM 5WF C29 H28 F3 N7 O3 CC1(COC1)C....
358 6DI0 - GJG C12 H17 N3 O c1cc(ncc1C....
359 3PJ1 ic50 = 0.048 uM LHL C25 H28 Cl2 N6 O2 CCN(CC)CCO....
360 4RFZ ic50 = 40 nM 3OV C34 H33 F N6 O5 CN1C=C(C=C....
361 4ZLZ ic50 = 100 nM 4RV C15 H13 N5 O Cc1ccncc1c....
362 4Y95 - 746 C34 H37 N5 O4 Cc1c(cccc1....
363 4RX5 ic50 = 3 nM 3YO C27 H24 F N7 O2 S Cc1c(ccc(c....
364 4OT6 - 2V1 C31 H28 N6 O5 S CS(=O)(=O)....
365 4OTR - 2V3 C36 H37 F N6 O3 CCN1CCN(CC....
366 5P9F - 2VL C33 H36 N6 O3 S Cc1c(cccc1....
367 3K54 - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
368 4YMJ ic50 = 83 nM 4EJ C20 H15 N5 c1ccc(cc1)....
369 4QMY ic50 = 0.004 uM STU C28 H26 N4 O3 C[C@@]12[C....
370 3A7J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
371 4W8D - 3JA C14 H16 N6 O Cn1cc(cn1)....
372 4QMN ic50 = 0.003 uM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
373 4QMS ic50 = 7.4 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
374 4QMV ic50 = 0.023 uM 34W C23 H25 F3 N6 O2 CC(=O)NCC(....
375 3A7I - ADE C5 H5 N5 c1[nH]c2c(....
376 1OPK - MYR C14 H28 O2 CCCCCCCCCC....
377 5MO4 - NIL C28 H22 F3 N7 O Cc1ccc(cc1....
378 2FO0 - P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
379 3D94 ic50 = 118 nM D94 C30 H31 N7 CN1CCN(CC1....
380 2OJ9 ic50 = 0.39 uM BMI C22 H19 N7 O Cc1cc(cc2c....
381 3I81 ic50 = 13 nM EBI C23 H24 F N9 O C[C@]1(CCC....
382 5HZN ic50 = 0.06 uM 66A C27 H29 N5 O c1ccc(cc1)....
383 4D2R ic50 = 3.3 uM DYK C24 H26 N6 O2 CN1CCC(CC1....
384 3O23 ic50 = 0.5 uM MQY C21 H16 F3 N3 O4 S C[C@H]1C(=....
385 3NW6 ic50 = 7 nM LGW C22 H21 F N8 O c1cc2c(nc(....
386 3NW5 ic50 = 8400 nM LGX C22 H21 F N8 O c1cc2c(nc(....
387 2ZM3 ic50 = 2.42 uM 575 C21 H20 Br N3 O2 c1cc(ccc1C....
388 1JQH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
389 3NW7 ic50 = 5.3 nM LGV C19 H17 F N8 O c1cc2c(nc(....
390 2C0I - L1G C33 H39 N9 O2 Cn1c2ccccc....
391 3VRZ - VRZ C25 H26 N6 O c1ccc(cc1)....
392 1QCF - PP1 C16 H19 N5 Cc1ccc(cc1....
393 5H0B ic50 = 11 nM OOQ C30 H35 N5 O3 CC(C)C[C@@....
394 5H09 ic50 = 1323 nM OOO C32 H39 N5 O3 CCOC(=O)[C....
395 3VS3 - VSE C29 H34 N6 O CN1CCN(CC1....
396 2C0T - L3G C32 H36 N8 O3 Cn1c2ccccc....
397 3VS1 - VSA C24 H24 N6 O c1ccc(cc1)....
398 3VS6 - VSH C20 H26 N6 O3 CC(C)n1c2c....
399 5H0H ic50 = 686 nM OOV C32 H40 N6 O2 CC(C)C[C@@....
400 3VRY ic50 = 7.7 nM B43 C23 H22 N4 O c1ccc(cc1)....
401 5H0G ic50 = 111 nM OOU C31 H38 N6 O2 CC(C)C[C@@....
402 5H0E ic50 = 210 nM OOS C30 H36 N6 O2 CC(C)C[C@@....
403 2SRC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
404 1Y57 ic50 = 1633 nM MPZ C28 H29 N7 O CN1CCN(CC1....
405 6F3F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
406 3BRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
407 5U6C Ki < 0.05 nM 7YS C21 H22 Cl F N6 O3 Cc1c-2c(n(....
408 5TC0 ic50 = 25 nM 79Y C18 H19 N5 O4 S2 CS(=O)(=O)....
409 5K0X ic50 = 4.4 nM K0X C24 H34 F N7 O2 c1cc(ccc1C....
410 2P0C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
411 3W32 ic50 = 75 nM W32 C25 H23 Cl F3 N5 O4 S CS(=O)(=O)....
412 5CAU Ki = 1.6 nM 4ZR C21 H25 F4 N7 O2 C[C@H](c1n....
413 5D41 ic50 = 0.024 uM 57N C19 H15 N3 O2 S c1ccc(cc1)....
414 4I22 - IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
415 2ITV - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
416 3POZ ic50 = 23 nM 03P C26 H25 Cl F3 N5 O3 CC(C)(CC(=....
417 5HCY Ki = 1.2 nM 60D C26 H30 N8 O4 S CC(C)n1cc(....
418 5CAP Ki = 52 nM 4ZH C19 H26 N6 O3 S Cc1nc2cnc(....
419 3W33 ic50 = 36 nM W19 C25 H22 Cl N5 O3 S c1cc(c2ccs....
420 2ITN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
421 4RJ8 Ki = 17 nM 3QS C22 H28 N6 O COC1CCN(CC....
422 5CAS Ki = 1.4 nM 4ZQ C21 H25 F4 N7 O2 C[C@H](c1n....
423 5X2F - 7XU C28 H34 N8 CN1CCN(CC1....
424 3VJN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
425 3UG2 Kd = 5.6 nM IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
426 5X2C - 7XR C27 H32 N8 CN1CCN(CC1....
427 5CNN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
428 5CAQ Ki = 2.7 nM 4ZJ C20 H26 F N7 O Cc1nc2cnc(....
429 2RGP ic50 = 0.3 uM HYZ C24 H27 F N8 c1cc(cc(c1....
430 5UGA Ki = 161 nM 8BM C25 H35 N9 O CC(C)n1cnc....
431 5CNO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
432 5C8N Ki = 492 nM 4YX C22 H32 N8 O Cc1nc2cnc(....
433 5X2A - 7XO C25 H30 N8 CC(C)n1c2c....
434 1XKK Ki = 3 nM FMM C29 H26 Cl F N4 O4 S CS(=O)(=O)....
435 3BEL ic50 = 0.014 uM POX C22 H22 F N7 O2 COCCO/N=C/....
436 3LPB ic50 = 42 nM NVB C24 H23 N3 O5 S CNS(=O)(=O....
437 4E4M Ki = 11 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
438 4HGE Ki = 11.9 nM 15V C17 H13 Cl N6 O Cc1cc(n(n1....
439 5CF6 ic50 = 8.2 nM 50O C20 H26 N6 O3 CNc1c2c(c3....
440 2XA4 ic50 < 0.003 uM AZ5 C14 H14 Cl F N8 Cc1cc([nH]....
441 5TQ4 ic50 = 4.2 nM 7GY C16 H15 N3 O2 CCc1cc(ccc....
442 5USY - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
443 3FUP ic50 = 21.7 nM MI1 C16 H20 N6 O C[C@@H]1CC....
444 3JY9 Ki = 0.001 uM JZH C21 H15 N3 O2 c1ccc2c(c1....
445 5CF5 ic50 = 2.5 nM 50W C23 H27 N7 O S CCn1c(cc2c....
446 3E62 ic50 = 40.9 uM 5B1 C7 H6 Br N3 c1cc2c(cc1....
447 4YTC - 4HW C18 H16 N8 c1ccc(cc1)....
448 4E6D Ki = 0.88 nM 0NU C16 H16 N6 O c1c[nH]c2c....
449 3TJC ic50 = 0.031 uM 0TP C19 H20 N4 O2 S CNC(=O)c1c....
450 4D0X ic50 = 0.008 uM 953 C16 H11 Cl F3 N5 O c1cc(c(cc1....
451 4GMY Ki = 0.028 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
452 4D0W ic50 = 0.02 uM VVQ C16 H14 Cl N5 O Cc1ccc(cc1....
453 4C61 ic50 = 0.004 uM LMM C17 H17 F N8 S Cc1csc2c1n....
454 3KRR ic50 = 0.48 nM DQX C27 H28 F2 N6 O c1cc(c2c(c....
455 5CF8 ic50 = 1.1 nM 50V C23 H28 N8 O CCn1c(cc2c....
456 4JIA Ki = 0.0006 uM 1K3 C24 H26 N6 O CN1CCN(CC1....
457 4D1S ic50 = 0.022 uM BJG C28 H30 Cl N7 O Cc1ccc(cc1....
458 4BBF ic50 = 2.2 nM O19 C25 H28 N6 O2 c1cc(ccc1c....
459 3E64 ic50 = 0.078 uM 5B3 C17 H20 N4 O2 S CC(C)(C)NS....
460 6AAJ - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
461 5WEV Ki = 0.15 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
462 4E6Q Ki = 4.56 nM 0NV C20 H21 N5 c1ccc(cc1)....
463 5TQ5 ic50 = 58.8 nM 7GX C22 H20 N4 O2 CCc1cc(ccc....
464 2B7A ic50 = 1 nM IZA C18 H16 F N3 O CC(C)(C)c1....
465 3E63 ic50 = 1.6 uM 5B2 C13 H11 N3 c1ccc(cc1)....
466 5TQ6 ic50 = 123.6 nM 7GV C18 H26 N6 O C[C@@H]1CC....
467 4YTF Ki = 0.007 uM 4HZ C16 H13 Cl F4 N6 O C[C@@H](C(....
468 5AEP ic50 = 0.068 uM QUP C18 H14 Cl N5 O Cc1ccc(cc1....
469 4GFM Ki = 0.06 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
470 6BBV ic50 = 0.803 uM D7D C14 H21 N5 O2 S CCCS(=O)(=....
471 3Q32 ic50 = 0.0018 uM J2I C23 H24 F2 N8 O2 Cc1cc([nH]....
472 4JI9 - 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
473 3RVG ic50 = 5 nM 17P C22 H24 N6 O Cn1cc(cn1)....
474 5TQ8 ic50 = 23.1 nM 7GS C31 H31 F N8 O2 CCc1cc(c(c....
475 3UGC - 046 C28 H30 F3 N7 O3 CC(=O)Nc1c....
476 4YTH Ki = 0.002 uM 467 C17 H15 Cl F4 N6 O CC(C)(C(=O....
477 4IVA - 1J5 C17 H19 N5 O C[C@H](c1n....
478 4BBE ic50 = 3.6 nM 3O4 C22 H23 N5 O2 CC(=O)Nc1c....
479 3IOK Ki = 0.0002 uM 1P6 C18 H16 F N7 C[C@@H](c1....
480 5CF4 ic50 = 40 nM 50Y C22 H30 N6 O2 CCn1c(cc2c....
481 5L3A Kd = 13 uM 6DP C8 H9 N3 O2 S CS(=O)(=O)....
482 4P7E - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
483 4F09 Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
484 4AQC ic50 = 0.9 nM 88A C23 H23 N5 O3 S CS(=O)(=O)....
485 5TQ7 - 7GT C24 H30 N6 O3 S C[C@@H]1CC....
486 3KCK Ki = 0.0008 uM 3KC C20 H12 Cl N3 O c1ccc2c(c1....
487 5AAA Ki = 0.38 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
488 4CLJ Ki = 0.1 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
489 4CMO Ki = 0.85 nM YPW C20 H20 F N5 O3 C[C@H](c1c....
490 5AA8 Ki = 8.6 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
491 3LCS - STU C28 H26 N4 O3 C[C@@]12[C....
492 4CCU - AWF C22 H23 F N6 O2 S Cc1c(sc(n1....
493 5IUH ic50 = 402 nM 34Y C30 H36 N8 O3 Cc1cc(ccc1....
494 2XB7 Ki = 0.65 nM GUI C30 H40 Cl N7 O3 S CC(C)S(=O)....
495 4CCB - OFG C19 H18 F N7 O Cc1c(c[nH]....
496 4CTC - J99 C23 H24 F N5 O2 C[C@@H]1c2....
497 4FOD ic50 = 0.0012 uM 0UV C33 H44 F N5 O3 CC(C)NC(=O....
498 4DCE ic50 = 0.174 uM 0JF C27 H33 N5 O4 Cc1ccc(cc1....
499 5AAC Ki = 1.3 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
500 5IUI - 45Q C23 H28 N6 O Cc1cc(ccc1....
501 5IMX - CZ4 C27 H38 Cl N7 O3 S Cc1cc(c(cc....
502 4ANQ ic50 = 605 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
503 4Z55 ic50 = 13 nM 4LO C30 H39 N7 O3 S Cc1cc(c(cc....
504 5A9U Ki = 0.08 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
505 4FOB ic50 = 0.005 uM 0US C30 H39 N5 O4 S C=CCNS(=O)....
506 5FTQ ic50 = 0.01 uM U4W C32 H36 F2 N6 O2 CN1CCN(CC1....
507 3AOX Kd = 2.4 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
508 4CD0 Ki = 0.2 nM AWJ C22 H25 F N6 O3 S Cc1c(sc(n1....
509 5AA9 Ki = 6.4 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
510 3LCT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
511 2XBA Ki = 23.68 nM 571 C25 H27 N6 O3 CN1CCN(CC1....
512 5IUG ic50 = 177 nM 729 C31 H38 N8 O3 Cc1cc(ccc1....
513 4MKC - 4MK C28 H36 Cl N5 O3 S Cc1cc(c(cc....
514 4CTB - KVC C23 H18 F N7 O2 C[C@@H]1c2....
515 5AAB Ki = 0.88 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
516 2XP2 - VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
517 4CLI Ki < 0.07 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
518 4CMT Ki < 0.2 nM GWH C22 H22 F N5 O3 S C[C@H](c1c....
519 4FOC ic50 = 0.003 uM 0UU C28 H34 N4 O3 COC(=O)C1C....
520 4CNH Ki = 4 nM 3U9 C17 H18 F N5 O2 C[C@H](c1c....
521 4FNY ic50 = 0.256 uM I3K C24 H18 Cl N3 O4 COc1cc2c(c....
522 5KZ0 Ki = 22 nM 6YL C21 H24 F N5 O2 Cc1c(cn(n1....
523 6MX8 ic50 = 0.37 nM 6GY C29 H39 Cl N7 O2 P CN1CCN(CC1....
524 4CMU Ki < 0.2 nM IV7 C21 H22 F N5 O2 Cc1c-2c(n(....
525 5FTO ic50 = 0.012 uM YMX C31 H34 F2 N6 O2 CN1CCN(CC1....
526 1MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
527 2JKK ic50 = 6.24 nM BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
528 4K9Y Kd = 0.111 uM K9Y C26 H27 N9 O Cc1ccc(cc1....
529 4Q9S ic50 = 156 uM 30G C10 H9 N3 O2 c1ccc2c(c1....
530 4D5H - 9RM C11 H9 F3 N4 O CC1=C(NC(=....
531 4D4V - KB8 C15 H16 F3 N3 Cc1ccc2c(c....
532 4GU6 Kd = 44 nM 10N C22 H20 N6 O2 S CN(c1c(ccc....
533 4KAO Kd = 0.77 uM KAO C26 H27 N5 O Cc1ccc(cc1....
534 2JKM ic50 = 17.76 nM BII C25 H32 Cl N7 O3 S CC(C)NS(=O....
535 3BZ3 ic50 = 1.5 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
536 4GU9 Kd = 43 uM 4GU C11 H8 F N5 c1ccc(c(c1....
537 4EBV ic50 = 0.99 uM 0O7 C18 H17 N3 O2 S CCc1ccc(cc....
538 2JKO ic50 = 7.7 nM BIJ C25 H28 Cl N7 O2 CN1CCN(CC1....
539 4I4E ic50 = 0.5 uM 1BQ C24 H26 N4 O4 S CN1c2ccc(c....
540 2J0L - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
541 4I4F ic50 = 0.64 uM 1BR C22 H26 N4 O2 S CC(C)(C)c1....
542 4BRX ic50 = 0.32 uM KGW C22 H25 N7 O3 CNC(=O)c1c....
543 4D4S - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
544 4D58 - BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
545 4C7T ic50 = 0.14 uM 5RI C20 H22 N6 O4 CNC(=O)c1c....
546 4IVB Ki = 1.9 nM 1J5 C17 H19 N5 O C[C@H](c1n....
547 4EI4 Ki = 1.8 nM 0Q2 C15 H18 N4 O Cc1nc2cnc3....
548 4IVC Ki = 0.1 nM 1J6 C18 H21 N5 O C[C@H](c1n....
549 3EYG ic50 = 1.6 nM MI1 C16 H20 N6 O C[C@@H]1CC....
550 4K77 Ki = 235 nM 1Q4 C13 H16 N4 O c1nc2c(c(n....
551 4EHZ Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
552 5WO4 ic50 = 0.1 nM B7V C17 H18 Cl N5 O3 COc1cc(ccc....
553 6DBN ic50 = 17 nM G4J C18 H21 F2 N7 O Cn1cc(cn1)....
554 4I5C Ki = 1.5 nM C5I C15 H15 N7 O c1c[nH]c2c....
555 4IVD Ki = 0.3 nM 15T C19 H23 N5 O C[C@H](c1n....
556 5E1E ic50 = 0.022 uM 5JG C20 H23 Cl F N5 O2 COc1cc(c(c....
557 4E5W Ki = 22 nM 0NT C21 H28 N6 O CC(C)N1CCC....
558 6BBU ic50 = 0.029 uM D7D C14 H21 N5 O2 S CCCS(=O)(=....
559 5HX8 ic50 = 0.1 nM 66P C18 H21 N5 O c1ccc2c(c1....
560 3EYH ic50 = 20 nM IZA C18 H16 F N3 O CC(C)(C)c1....
561 4E4N Ki = 0.9 nM 0NL C18 H23 N5 O2 CC(C)(C)OC....
562 6AAH - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
563 4E4L Ki = 1.7 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
564 4FK6 Ki = 0.2 nM 0UJ C17 H21 N5 O2 S CS(=O)(=O)....
565 4E1Z - 0MX C24 H17 Cl N4 O4 S c1cc(cc(c1....
566 4GFO Ki = 0.24 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
567 4GJ3 Ki = 1.4 nM 0XP C17 H11 Cl2 F N4 O2 c1cnc(cc1N....
568 4GII Ki = 1.8 nM 0X6 C17 H12 Cl2 N4 O2 c1cnc(cc1N....
569 6AAM - 9T6 C18 H22 N4 O2 c1c[nH]c2c....
570 3NYX Ki = 32 nM TZ1 C16 H9 Cl N4 O S3 c1cc(sc1)C....
571 4GVJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
572 6DBM ic50 = 23 nM G4J C18 H21 F2 N7 O Cn1cc(cn1)....
573 3NZ0 - IZA C18 H16 F N3 O CC(C)(C)c1....
574 4GJ2 Ki = 2.5 nM 0XH C16 H12 Cl2 F N3 O2 c1cc(c(c(c....
575 6DBK ic50 = 23 nM G5D C21 H23 N7 O2 CCNC(=O)c1....
576 3LXP - IZA C18 H16 F N3 O CC(C)(C)c1....
577 5WAL Ki = 0.0017 uM 9ZS C16 H12 Cl2 N4 O c1cc(c(c(c....
578 4GIH Ki = 0.0048 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
579 3C1X ic50 = 0.045 uM CKK C27 H27 F2 N7 O3 c1cc(ccc1C....
580 3LXN Ki = 4.4 nM MI1 C16 H20 N6 O C[C@@H]1CC....
581 4PY1 - 2YK C17 H16 N6 O2 S Cn1cc(cn1)....
582 4H1J ic50 = 1200 nM 0YH C26 H30 N6 O2 Cc1ccc(cc1....
583 3FZT ic50 = 637 nM 4JZ C24 H27 N7 O2 Cc1ccc(cc1....
584 3H3C ic50 = 140 nM P1E C19 H25 F3 N6 O2 S CNS(=O)(=O....
585 4H1M ic50 = 78 nM 0YJ C27 H32 N6 O2 Cc1ccc(cc1....
586 5TOB ic50 = 13 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
587 5TO8 ic50 = 3.1 nM 7FM C25 H26 F3 N7 O3 S CS(=O)(=O)....
588 3FZP - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
589 3FZS ic50 = 1.5 uM B96 C31 H37 N5 O3 Cc1ccc(cc1....
590 5FDP ic50 = 309 nM 5WR C28 H31 F3 N6 O C[C@@H]1CN....
591 6FIO ic50 = 0.03 uM DJH C25 H24 F3 N5 O3 Cc1cccc2c1....
592 6FIN - DJQ C27 H27 N7 O3 c1ccc(cc1)....
593 6FEW ic50 = 1.5 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
594 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
595 4BKJ ic50 = 41 nM STI C29 H31 N7 O Cc1ccc(cc1....
596 6FIM ic50 = 1.5 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
597 6FEX ic50 = 0.029 uM D6Z C23 H20 Br F3 N6 O3 c1cc2c(c(c....
598 5BVN - 4VD C23 H20 F N5 O2 Cc1ccc(cc1....
599 6GWR ic50 = 9.4 nM FEW C31 H31 F3 N6 O CC(C)c1ccc....
600 6FIL ic50 = 1.5 uM D6W C24 H26 N6 O3 CNC(=O)CN1....
601 5BVK - 4VC C13 H12 Cl N3 O c1ccc(c(c1....
602 5BVO - 4VE C24 H20 F N5 O2 Cc1ccc(cc1....
603 6FIQ - DJW C27 H27 F3 N6 O4 COc1ccc2c(....
604 5BVW - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
605 3ZOS - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
606 3KRL ic50 = 0.8 nM KRL C22 H27 N5 O2 CN1CCN(CC1....
607 3DPK ic50 = 4.1 nM 8C5 C27 H34 N6 O3 CONC(=O)C1....
608 2I0Y - 5CN C19 H21 N3 O3 CC1CCN(CC1....
609 3BEA ic50 = 0.003 uM IXH C29 H31 N7 O2 C[C@H]1CN(....
610 2I1M - 5CN C19 H21 N3 O3 CC1CCN(CC1....
611 3KRJ ic50 = 1 nM KRJ C22 H25 N5 O c1cc(c(cc1....
612 3LCD ic50 = 40 nM BDY C27 H30 Cl2 N6 O c1cc(c(c(c....
613 2F57 - 23D C19 H24 Cl N7 CCn1cnc2c1....
614 5VAM - 92J C28 H29 F3 N4 O4 Cc1c(cc(cn....
615 5JSM ic50 = 260 nM 6NB C52 H48 F4 N6 O10 S2 CCCS(=O)(=....
616 4CQE Kd < 3 nM CQE C30 H28 F3 N5 O3 S2 CC(=O)Nc1c....
617 5VAL - 92D C26 H30 N4 O2 Cc1ccc(cc1....
618 5HID - B1E C27 H25 N5 O2 Cc1ccc(cc1....
619 2H8H ic50 = 2.7 nM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
620 4Y93 - 746 C34 H37 N5 O4 Cc1c(cccc1....
621 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
622 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 C[C@H](C(C....
623 5LWM ic50 = 9 nM 79T C24 H24 N6 O2 CN(C)C(=O)....
624 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 C[C@@H](C1....
625 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O C[C@@H]1CC....
626 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 C[C@H](C(=....
627 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O C[C@@H](C(....
628 6GLB ic50 = 129 nM F48 C21 H21 N5 O c1cc(oc1CC....
629 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 C[C@H](C(=....
630 6DB3 ic50 = 56 nM G54 C17 H15 N5 C[C@@]1(CC....
631 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 C[C@@H](C1....
632 4QT1 ic50 = 7 nM 3C9 C16 H24 N6 O3 S CC(C)CS(=O....
633 5LWN ic50 = 17 nM 79R C25 H26 N6 O2 C[C@@H]1CC....
634 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
635 6GL9 ic50 = 135 nM F3W C23 H21 N5 c1cc(cc(c1....
636 6GLA ic50 = 27 nM F4B C21 H19 N5 O c1cc(oc1/C....
637 4CSV Ki = 910 nM STI C29 H31 N7 O Cc1ccc(cc1....
638 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=C/C(=N....
639 4AGC Ki = 0.02 nM AXI C22 H18 N4 O S CNC(=O)c1c....
640 4ASD Ki = 0.52 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
641 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
642 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
643 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
644 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
645 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
646 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
647 1SM2 Ki < 10 nM STU C28 H26 N4 O3 C[C@@]12[C....
648 3MJ1 Kd = 2.1 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
649 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
650 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
651 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
652 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
653 4RFM Ki = 0.09 nM 3P6 C25 H27 F2 N5 O3 S C[C@@]12Cc....
654 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
655 4QD6 Ki = 2.3 nM 30T C26 H27 N5 O3 S c1ccc(cc1)....
656 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
657 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
658 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
659 4MF1 Ki = 1.9 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
660 1SNU - STU C28 H26 N4 O3 C[C@@]12[C....
661 3MJ2 Kd = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
662 4M0Y Kd = 8.2 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
663 1BYG - STU C28 H26 N4 O3 C[C@@]12[C....
664 4U0I ic50 < 11 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
665 1T46 - STI C29 H31 N7 O Cc1ccc(cc1....
666 3G0E Kd = 20 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
667 4HVS ic50 = 0.016 uM 647 C21 H17 F3 N4 c1cc2c(c[n....
668 1JPA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
669 3PLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
670 2IVS - ACK C10 H12 N5 O6 P c1nc(c2c(n....
671 2X2L ic50 = 5.3 uM X2L C16 H14 N2 O2 COc1ccc(cc....
672 6FEK - ADN C10 H13 N5 O4 c1nc(c2c(n....
673 2IVU Ki = 375 nM ZD6 C22 H24 Br F N4 O2 CN1CCC(CC1....
674 4CKJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
675 2X2M ic50 = 0.17 uM X2M C15 H14 N2 O Cc1cc([nH]....
676 2IVV - PP1 C16 H19 N5 Cc1ccc(cc1....
677 4CKI - ADN C10 H13 N5 O4 c1nc(c2c(n....
678 3SXR - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
679 3SXS - PP2 C15 H17 Cl N5 CC(C)(C)n1....
680 6GQJ - F82 C25 H27 N5 O5 CC(C)n1cc(....
681 6GQM - F8H C24 H26 F N7 O3 CC(C)c1cn(....
682 6GQL - F8B C23 H24 N6 O4 CC(C)c1cn(....
683 6GQK - F88 C23 H23 N5 O4 CCn1cc(cn1....
684 6FNM - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
685 2VX1 ic50 = 0.22 uM 7X8 C18 H14 Cl N5 O3 c1cc(cc(c1....
686 6FNI Kd = 6 nM DXH C26 H20 F3 N7 O Cc1ccc(cc1....
687 2YN8 - STU C28 H26 N4 O3 C[C@@]12[C....
688 2VWV ic50 = 16 uM 7X3 C19 H20 Cl N5 O4 COc1ccc(cc....
689 2VX0 ic50 = 0.58 uM 7X7 C21 H20 Cl N5 O3 c1cc(cc(c1....
690 2X9F ic50 = 0.061 uM X9F C18 H16 N6 O2 S CS(=O)(=O)....
691 2VWU ic50 = 0.35 uM 7X1 C24 H27 Cl N4 O4 COc1cc2c(c....
692 2VWX ic50 = 0.04 uM 7X4 C17 H14 Cl N5 O4 S c1cc(cc(c1....
693 4BB4 - 32W C23 H21 N5 O2 COCCNC(=O)....
694 2VWW ic50 = 0.24 uM 7X2 C20 H19 Cl N4 O5 COc1cc(cc(....
695 6FNJ Kd = 142 nM DWT C26 H20 F3 N7 O Cc1ccc(cc1....
696 2XVD ic50 = 0.002 uM AS6 C26 H33 N5 O4 S Cc1ccc(cc1....
697 2VWZ ic50 = 0.794 uM 7X6 C18 H16 Cl N5 O4 S CS(=O)(=O)....
698 2VWY ic50 = 0.09 uM 7X5 C18 H15 Cl N4 O4 S CS(=O)(=O)....
699 4AW5 ic50 = 765 nM 30K C30 H31 N5 O2 CCN1CCC(CC....
700 3ZEW - STU C28 H26 N4 O3 C[C@@]12[C....
701 6FNK - DXK C11 H10 N6 Cn1c2c(cn1....
702 2OFU ic50 ~ 3 uM 1N9 C37 H46 N6 O7 Cc1cccc(c1....
703 2OF2 ic50 = 0.081 uM 547 C25 H26 N4 O c1ccc(cc1)....
704 3BYS ic50 = 0.5 nM AM5 C31 H30 F3 N7 O2 Cc1ccc(cc1....
705 3B2W ic50 = 0.6 nM 9NH C31 H29 F4 N7 O3 Cc1ccc(cc1....
706 1QPJ - STU C28 H26 N4 O3 C[C@@]12[C....
707 1QPE ic50 = 20 nM PP2 C15 H17 Cl N5 CC(C)(C)n1....
708 3BYU ic50 = 0.8 nM AM6 C32 H32 F3 N7 O2 Cc1ccc(cc1....
709 1QPD - STU C28 H26 N4 O3 C[C@@]12[C....
710 3BYM ic50 = 0.006 uM AM0 C25 H23 N7 O3 COc1cc(cc(....
711 2ZM1 ic50 = 220 nM KSF C18 H13 Cl N4 c1ccc(cc1)....
712 1QPC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
713 2OFV ic50 = 0.2 nM 242 C23 H17 F3 N4 O Cc1ccc(cc1....
714 3KXZ ic50 = 0.035 uM 925 C28 H32 N6 O3 CC1(CC(CC(....
715 3MPM ic50 = 30 nM 5LK C23 H26 N6 O CN1CCN(CC1....
716 3BYO ic50 = 7 nM AM9 C31 H30 N8 O Cc1cccc(c1....
717 2OG8 ic50 = 0.5 nM 1N8 C30 H31 F3 N6 O2 CCN(CC)CC(....
718 4C3F - 7KW C19 H15 N5 c1ccc(cc1)....
719 4ZJJ Kd = 9.9 nM 4OR C24 H29 Cl F N5 O CCN1c2ccc(....
720 5KBR ic50 = 260 nM IPW C22 H20 Cl N5 O c1cc(ccc1C....
721 4ZLO ic50 = 54 uM 4PV C18 H18 F2 N4 CN1CCN(CC1....
722 4ZJI Kd = 340 nM 4OQ C20 H22 Cl F N4 CCN1c2ccc(....
723 5DEY Ki = 3.7 nM 59T C25 H25 Cl N6 O3 Cc1cccc(n1....
724 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
725 4ZY5 Ki = 26 nM 4T5 C17 H25 N7 c1cnc(nc1N....
726 3SLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
727 5VO1 Ki = 0.007 uM 9FS C20 H24 F3 N5 O CC(C)n1c(c....
728 5CEQ Ki = 0.042 uM 50F C22 H28 N6 O c1cnc(cc1C....
729 5CEP Ki = 0.145 uM 50E C17 H22 F3 N5 CC(C)n1c(c....
730 5CEO Ki < 0.0005 uM 50D C23 H26 F2 N6 O c1cnc(cc1C....
731 4RVT ic50 = 1.9 uM 3XM C17 H19 N O4 CCCCCC(=O)....
732 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
733 4QRC - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
734 4TYJ - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
735 4UXQ Kd = 16 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
736 5JKG ic50 < 6.4 nM 6LF C21 H19 Cl2 N5 O2 C[C@H](c1c....
737 4AT4 ic50 = 0.012 uM T6E C20 H13 F4 N5 O S c1cc(ccc1c....
738 4AT3 ic50 = 0.004 uM LTI C16 H18 N4 O2 S2 c1ccc2c(c1....
739 4AT5 ic50 = 0.038 uM MUJ C20 H22 N4 O3 COc1ccc(cc....
740 4UXL Ki < 0.025 nM 5P8 C21 H19 F N6 O2 C[C@@H]1c2....
741 3ZBF Ki = 2.1 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
742 3EQC - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
743 3EQI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
744 2P4I ic50 = 317 nM MR9 C29 H27 F3 N6 O3 Cc1ccc(cc1....
745 6MWE - 919 C30 H28 F N7 O3 CC(C)(C)c1....
746 4X3J - 3WR C21 H14 F4 N6 O2 c1cc(ccc1N....
747 2OO8 ic50 = 1 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
748 5MJA ic50 = 220 nM 7O3 C16 H12 Cl2 N4 O2 c1cc2c(cc1....
749 3QUP ic50 = 0.476 uM LUN C25 H27 F N4 O c1ccc2c(c1....
750 4FEQ ic50 = 1.1 uM 0T8 C24 H33 N7 O2 c1cnccc1CC....
751 4FF8 ic50 = 0.4 uM 14S C25 H34 N6 O3 COc1ccccc1....
752 4IBM ic50 = 1.8 uM IR1 C18 H10 N6 O c1ccc(cc1)....
753 5HHW - 60O C26 H33 N5 O2 c1cc(cc(c1....
754 1I44 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
755 3EKK ic50 = 2 nM GS2 C27 H27 F N8 O3 CNC(=O)c1c....
756 4XLV - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
757 5E1S Kd = 12 nM 5JA C29 H37 N9 O C[C@@H]1Cc....
758 3EKN ic50 = 2 nM GS3 C27 H31 F N8 O2 CC(C)N1CCN....
759 4K33 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
760 2UV2 - GVD C22 H19 N7 c1ccc2c(c1....
761 2JFL - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
762 5ZJ6 - VSE C29 H34 N6 O CN1CCN(CC1....
763 2HK5 ic50 = 46 nM 1BM C24 H29 N7 O CCN(CC)CCN....
764 2XYU ic50 = 4.5 uM Q9G C17 H17 F N4 Cc1ccc(cc1....
765 2Y6O ic50 = 25 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 032; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 032 1 1
2 6NB 0.744898 0.853659
3 6N9 0.601942 0.8375
4 904 0.550459 0.822785
5 1OO 0.52381 0.810811
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XV1; Ligand: 904; Similar sites found with APoc: 456
This union binding pocket(no: 1) in the query (biounit: 4xv1.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5NLD LBT None
2 5EZU MYR None
3 6GBV FMN None
4 3ZXE PGZ None
5 5DKK FMN None
6 1E4E ADP 1.0274
7 2CIX CEJ 1.0274
8 2UV4 AMP 1.31579
9 4RDL FUC GAL NDG FUC 1.36986
10 4MOB ADP 1.36986
11 1S68 AMP 1.60643
12 4URF 1PS 1.6129
13 5HV7 RBL 1.71233
14 5DZT AMP 1.71233
15 3THR C2F 1.71233
16 3JU6 ANP 1.71233
17 3JQQ A2P 1.71233
18 4WUJ FMN 2.04082
19 2YRX AMP 2.05479
20 3TY5 ATP 2.05479
21 4UWH JXM 2.05479
22 2Z49 AMG 2.05479
23 3TY5 ADP 2.05479
24 2Z9I GLY ALA THR VAL 2.05479
25 5BTX CMP 2.05479
26 5GLT BGC GAL NAG GAL 2.11268
27 5EHS 5OY 2.23881
28 5EHS 2JJ 2.23881
29 4GYS MLI 2.25443
30 4GYI ADP 2.39726
31 5OES ADP 2.39726
32 1GSA ADP 2.39726
33 4P25 FUC GAL NAG FUC 2.39726
34 5T96 79J 2.39726
35 4OCJ NDG 2.39726
36 4PQG NAG 2.39726
37 4TWL ASC 2.43902
38 1YKD CMP 2.51256
39 1J3R 6PG 2.63158
40 3IX9 MTX 2.63158
41 2GC0 PAN 2.65957
42 5JBX COA 2.68199
43 3QH2 3NM 2.71493
44 2CFM AMP 2.73973
45 5EQY 5RA 2.73973
46 2R5V HHH 2.73973
47 4XYM A12 2.73973
48 6EOM ALA LYS 2.73973
49 4UHL VFV 2.73973
50 4GLW 0XT 2.73973
51 3NKS ACJ 2.73973
52 4PU5 ANP 2.73973
53 6F5W KG1 2.73973
54 3T1A 5MA 2.73973
55 4DFU QUE 2.79503
56 3KIF GDL 2.83019
57 1TZD ADP 2.90909
58 2GQR ADP 2.95359
59 3CBC DBS 3.0303
60 4ZGP ADP 3.07167
61 1AUX AGS 3.08219
62 3I0O ADP 3.08219
63 4RF7 ARG 3.08219
64 1PK8 ATP 3.08219
65 3TII ANP 3.08219
66 4XZ3 ACP 3.08219
67 2Q8E OGA 3.08219
68 4WOE ADP 3.08219
69 3ZJX BOG 3.11419
70 3VV1 GAL FUC 3.125
71 2D6M LBT 3.14465
72 5LOL GSH 3.25581
73 5I8T LAC 3.35196
74 2EB5 OXL 3.37079
75 5GZ9 ANP 3.42466
76 1W2D ADP 3.42466
77 5KJW 53C 3.42466
78 6C1S EFV 3.42466
79 1EHI ADP 3.42466
80 2V58 LZJ 3.42466
81 1TKK ALA GLU 3.42466
82 2HZQ STR 3.44828
83 4WVW SLT 3.47222
84 2G30 ALA ALA PHE 3.48837
85 6ACS CIT 3.48837
86 3P7N FMN 3.48837
87 5A5W GUO 3.55731
88 3VPD ANP 3.55872
89 1UMZ BGC BGC XYS BGC XYS GAL 3.59712
90 1RE0 AFB 3.61991
91 2HK9 SKM 3.63636
92 3I8T LBT 3.65854
93 3OF1 CMP 3.65854
94 3SAO DBH 3.75
95 5V1B 8UY 3.75
96 2VQD AP2 3.76712
97 2YBP 2HG 3.76712
98 2OS2 OGA