Receptor
PDB id Resolution Class Description Source Keywords
3KIG 1.39 Å EC: 4.2.1.1 MUTANT CARBONIC ANHYDRASE II IN COMPLEX WITH AN AZIDE AND AN HOMO SAPIENS 10 STRANDED TWISTED BETA-SHEETS LYASE DISEASE MUTATION MBINDING
Ref.: STEREO- AND REGIOSELECTIVE AZIDE/ALKYNE CYCLOADDITI CARBONIC ANHYDRASE II VIA TETHERING, MONITORED BY CRYSTALLOGRAPHY AND MASS SPECTROMETRY. CHEMISTRY V. 17 5842 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DA4 A:504;
Valid;
none;
ic50 = 245 nM
181.212 C8 H7 N O2 S C#Cc1...
DA9 A:503;
A:505;
Invalid;
Invalid;
none;
none;
submit data
160.198 C4 H8 N4 O S C(CS)...
ZN A:500;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2H4N 1.9 Å EC: 4.2.1.1 H94N CARBONIC ANHYDRASE II COMPLEXED WITH ACETAZOLAMIDE HOMO SAPIENS LYASE OXO-ACID ACETYLATION
Ref.: HISTIDINE --> CARBOXAMIDE LIGAND SUBSTITUTIONS IN THE ZINC BINDING SITE OF CARBONIC ANHYDRASE II ALTER METAL COORDINATION GEOMETRY BUT RETAIN CATALYTIC ACTIVITY. BIOCHEMISTRY V. 36 15780 1997
Members (560)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3K34 - SUA C13 H14 N2 O3 S3 c1cc(ccc1N....
2 4XE1 Ki = 77.3 nM IL5 C7 H6 N2 O5 S2 c1cc2c(cc1....
3 5JG3 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
4 4HT0 Kd = 10 nM V50 C12 H9 F4 N3 O2 S2 Cc1cc(nc(n....
5 1IF8 Kd = 230 pM SBS C19 H21 N3 O3 S C[C@@H](CN....
6 6ODZ Ki = 0.7 nM M8J C15 H18 N4 O5 S c1cc(ccc1N....
7 7JO2 Ki = 2.4 nM VFM C6 H10 N4 O3 S2 CC(C)C(=O)....
8 1I9L Kd = 3.3 nM INV C14 H13 F N2 O3 S c1cc(ccc1C....
9 6PGX Ki = 0.62 nM OJ4 C18 H24 N2 O8 S2 Te c1cc(ccc1O....
10 3VBD Ki = 8.6 nM 0FZ C16 H16 N2 O3 S COc1ccc2c(....
11 7JNX Ki = 63.4 nM VGS C7 H12 N4 O3 S2 CC(C)(C)C(....
12 3M5E Kd = 0.043 uM JDR C13 H13 Cl N4 O3 S2 CSc1nc(c(c....
13 6BBS - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
14 6FJJ Ki = 100 nM LSA C7 H5 N O3 S c1ccc2c(c1....
15 3P5A Ki = 0.95 nM IT2 C5 H9 N O S2 C1COCCN1C(....
16 2AW1 Ki = 43 nM COX C16 H14 N2 O3 S Cc1c(c(no1....
17 4M2W - ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
18 5J8Z Ki = 5 nM FC4 C20 H16 Cl N5 O4 S2 C[C@H](C(=....
19 4QTL Kd = 120 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
20 6QFU Kd = 35 nM J0K C24 H29 Cl Ir N3 O4 S CC12C3([Ir....
21 5BYI Ki = 30.7 nM 4WA C12 H12 N4 O2 S c1cc(ccc1N....
22 6G6T Kd = 0.16 nM ENN C11 H14 Cl2 N2 O3 S CCCCNC(=O)....
23 4PYX Kd = 730 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
24 5WLT Ki = 155.5 nM 86B C12 H20 N2 O4 S CC(C)NC[C@....
25 5FLT Kd = 1280 uM VJJ C13 H10 O3 c1ccc(cc1)....
26 4RIV - LSA C7 H5 N O3 S c1ccc2c(c1....
27 5NEA Ki = 0.05 nM 8V8 C10 H10 N2 O3 S Cc1ncc(o1)....
28 5EKM Kd = 0.48 uM TG5 C12 H19 N3 O3 S CCCCNCC(=O....
29 3MHC Ki = 11 nM ARZ C13 H18 N4 O3 S2 C1C2CC3CC1....
30 6T7U Ki = 0.5 nM X33 C5 H8 B10 N O2 S B1234B567B....
31 6YZJ - Q2Z C4 H6 B10 N O2 S B1234B567B....
32 5NXG Ki = 2.8 nM RA1 C13 H10 Cl N3 O5 S c1cc(ccc1N....
33 5L6K - QUK QVS 6H0 QUJ QVE n/a n/a
34 6B4D Ki = 0.78 uM 53X C15 H15 N3 O2 CCn1cc(c2c....
35 3M96 Kd = 0.06 uM E38 C15 H11 Br Cl N3 O3 S2 c1cc(c(cc1....
36 4ITP Ki = 54 nM 1GD C15 H16 N2 O3 S c1ccc(cc1)....
37 6CJV Ki = 300 nM RRY RRJ n/a n/a
38 2GD8 ic50 = 379 nM PO1 C19 H28 N2 O7 S2 C[C@]12CC[....
39 5G03 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
40 7JNV Ki = 53.8 nM VFJ C6 H10 N4 O3 S2 CCCC(=O)Nc....
41 4QSI Kd = 50 nM EWZ C16 H18 Cl N3 O4 S2 CC(C)(C)C1....
42 7K6T - VYV C15 H18 N4 O5 S2 c1ccc(cc1)....
43 1BNV Kd = 1.7 nM AL7 C14 H17 N3 O5 S3 CN[C@@H]1C....
44 1I9Q Kd = 3.9 nM IOF C14 H11 F3 N2 O3 S c1cc(ccc1C....
45 6IC2 Ki = 917.4 nM BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
46 6RSZ - KJ5 C8 H7 F4 N O2 S CCc1c(c(c(....
47 2Q1Q Ki = 7 nM OSP C10 H14 N2 O4 S2 c1cc(ccc1N....
48 5LJT Ki = 1.2 nM A6N C15 H16 N4 O3 S c1ccc(cc1)....
49 1G0E - 4MZ C4 H6 N2 Cc1c[nH]cn....
50 4QIY Kd = 50 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
51 2OSF Ki = 148 uM TH0 C6 H6 O2 S c1cc(c(cc1....
52 5BRV Kd = 0.96 nM 9TH C28 H31 Cl Ir N3 O4 S2 C[C-]12C3(....
53 6RW1 Ki = 1305 nM KL5 C15 H16 B N2 O3 S [B-]1(c2cc....
54 6SAC - 47J C6 H11 N3 Cc1cc(n(n1....
55 6D1L Ki = 7.6 nM FQV C10 H11 N O2 S Se CC#CC[Se]c....
56 5U0E Kd = 7.7 uM 7R4 C10 H9 N O S2 c1ccc(cc1)....
57 4PYY Kd = 59 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
58 6XXT Ki = 3.7 nM O42 C18 H19 N3 O4 S c1ccc(cc1)....
59 1G45 Kd = 2.3 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
60 5FNK Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
61 2NNO Kd = 0.4 uM M28 C9 H11 N O4 S c1cc(ccc1C....
62 4Q81 Ki = 950 uM 7MH C7 H9 N O S CC1=CC(=S)....
63 3CA2 - AMS C6 H7 Hg N2 O2 S c1cc(c(cc1....
64 4Q7P Ki = 48 uM 3MH C6 H7 N O S CC1=CC=CN(....
65 4YYT Kd = 418.3 nM S2O C8 H11 N O3 S c1cc(ccc1C....
66 5E2K Ki = 9.3 nM BX4 C12 H12 N2 O2 S c1cc(cc(c1....
67 3M2N - J74 C12 H12 Cl N5 O4 S c1cc(ccc1C....
68 6H3Q Ki = 47.3 nM FMH C10 H9 Cl N2 O2 S Se c1cc(ccc1c....
69 3OYS Ki = 9 nM OYS C14 H14 N2 O3 S c1ccc(cc1)....
70 6RVK Ki = 439 nM R29 C15 H16 B N2 O4 [B-]1(c2cc....
71 6H29 Ki = 2.4 uM FK8 C8 H9 N O2 c1ccc(cc1)....
72 3RYZ Kd = 2.4 nM RYZ C11 H9 F7 N2 O3 S c1cc(ccc1C....
73 4M2V - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
74 3S8X Kd = 0.07 uM E59 C13 H13 N3 O4 S2 CC1=CC(=O)....
75 5U0G - 7QY C12 H13 N O4 S COc1ccc(c(....
76 3K7K Kd ~ 8.86 nM KCS C H2 S3 C(=S)(S)S
77 3T83 Ki = 105 nM MG5 C15 H25 N O11 S CCC(=O)O[C....
78 3BL1 Ki = 2520 nM BL1 C16 H16 Cl N3 O3 S C[C@H]1Cc2....
79 5EH7 Kd = 330 uM 5O5 C8 H6 Cl2 N4 O c1cc(c(cc1....
80 4RUY Ki = 12.8 nM 3W6 C9 H13 N O3 S CCCOc1ccc(....
81 3MHO Kd = 0.32 uM J43 C12 H11 Cl N4 O3 S2 CSc1nc(c(c....
82 6UGN Ki = 763.5 nM Q77 C9 H10 N2 O3 S Cc1cc(c2c(....
83 6YZT Ki = 622 nM Q3E C5 H8 B10 N O2 S B1234B567B....
84 4YX4 Kd = 1073.4 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
85 4N16 ic50 = 0.22 mM CHD C24 H40 O5 C[C@H](CCC....
86 3K2F Ki = 63 nM NKX C14 H20 N4 O12 S3 CCN([C@H]1....
87 2WEO Kd = 118 nM FBW C6 H6 F N O2 S c1cc(cc(c1....
88 6UGR Ki = 533.6 nM Q71 C7 H5 F N2 O3 S c1cc2c(cc1....
89 3PO6 - DT9 C12 H18 N2 O4 S C[C@H]1c2c....
90 3V7X Ki = 2.7 nM D7A C17 H20 N2 O5 S COc1ccc(cc....
91 3IBU Ki = 0.7 nM O48 C10 H23 N O3 S CCCCCCCCCC....
92 6S03 Ki = 17 nM KPW C25 H26 N6 O2 S Cc1cccc(n1....
93 1BNT Kd = 0.16 nM AL2 C13 H14 N2 O6 S3 COc1ccc(cc....
94 4YXU Kd = 57.4 nM 4JE C9 H13 N O2 S CCCc1ccc(c....
95 4Q09 Kd = 6.7 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
96 6RJJ - K5W C6 H5 F2 N O2 S c1cc(c(c(c....
97 5FLS Kd = 905 uM 6ZX C10 H9 Cl O2 C/C(=CC(=O....
98 3DCS Ki = 11.4 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
99 5TYA Kd = 32.9 uM 7QS C9 H7 N O2 S c1ccc(cc1)....
100 7K6J Ki = 50.8 nM VYY C16 H20 N4 O5 S2 Cc1ccc(cc1....
101 3RYV Kd = 86 nM RYV C9 H12 N2 O3 S CCNC(=O)c1....
102 2WEJ Kd = 839 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
103 6WQ4 Ki = 368.5 nM U7A C29 H34 N4 O3 S c1ccc(cc1)....
104 3MYQ Kd = 0.03 uM E27 C18 H13 Cl N4 O3 S2 c1ccc2c(c1....
105 6SD7 - SXG C12 H3 F9 N2 O4 S2 c1(c(c(c(c....
106 6YO2 - P6Q C5 H8 B10 N O2 S B12B34B156....
107 4ZWZ - 510 C12 H22 N2 O12 S2 COC(=O)[C@....
108 6RZX Ki = 7 nM KPQ C4 H2 F9 N O2 S C(C(C(F)(F....
109 4Q6D Kd = 0.0435 uM WW3 C12 H18 N4 O2 S c1cc(ccc1/....
110 3V5G Ki = 74 nM 0F3 C6 H9 N3 O4 S2 c1cc(ccc1N....
111 1EOU ic50 = 36 nM SMS C9 H15 N O10 S2 CC1(O[C@H]....
112 4RFC Ki = 5.7 nM 3O1 C15 H24 N2 O5 S CC(C)(C)OC....
113 6H33 Ki = 0.6 nM FKQ C18 H20 N2 O4 S c1ccc(cc1)....
114 5VGY Kd = 65.5 uM 9AA C12 H14 N2 O4 S COc1ccc(c(....
115 1BN4 Kd = 0.49 nM AL9 C12 H14 N2 O5 S3 COc1ccc(cc....
116 6T9Z Ki = 1.178 nM MYW C5 H8 B9 N O2 S B123B45B16....
117 5NY3 Ki = 33.9 nM 9E8 C15 H16 Cl N3 O3 S c1cc(ccc1C....
118 1G4O Kd = 5.6 nM BSB C14 H14 N2 O3 S c1ccc(cc1)....
119 6S9G - L1Q C9 H9 F4 N O2 S CCCc1c(c(c....
120 6YZO - Q3K C8 H14 B10 N O2 S B1234B567B....
121 5SZ3 Ki = 2.5 nM 72H C15 H12 N2 O2 S c1ccc2c(c1....
122 6YZQ Ki = 870.1 nM Q3Q C6 H10 B10 N O2 S B1234B567B....
123 4RUZ - 3W8 C8 H11 N O3 S CCOc1ccc(c....
124 3KIG ic50 = 245 nM DA4 C8 H7 N O2 S C#Cc1cccc(....
125 3EFI - TRP C11 H12 N2 O2 c1ccc2c(c1....
126 5SZ5 - 72E C13 H13 N O2 S Cc1ccccc1c....
127 3N0N Ki = 50 nM P9B C13 H8 F5 N3 O3 S c1cc(ccc1N....
128 4Q06 Kd = 22 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
129 6CEH Ki = 36.5 nM EZ1 C9 H11 N O2 S Se C=CC[Se]c1....
130 2X7T Ki = 232 nM WZB C20 H30 N2 O6 S2 CCc1cc2c(c....
131 4Z1J Ki = 7.7 nM 4KC C16 H16 N2 O3 S c1ccc2c(c1....
132 5U0F Kd = 3.4 uM 7R1 C12 H13 N O3 S2 COc1ccc(c(....
133 6OE0 Ki = 1.2 nM M8S C17 H22 N4 O5 S c1cc(ccc1N....
134 3T5Z Ki = 8.96 uM B09 C7 H9 N O3 S CONS(=O)(=....
135 4FIK - TH0 C6 H6 O2 S c1cc(c(cc1....
136 7JOB Ki = 15.7 nM VGV C9 H14 N4 O3 S2 C1CCC(CC1)....
137 4E3D ic50 = 5 mM GTQ C7 H6 O4 c1cc(c(cc1....
138 1G46 Kd = 1.6 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
139 5JEP - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
140 6R6J Kd = 0.12 nM JTW C15 H15 Cl N2 O6 S2 c1ccc(cc1)....
141 6Z04 - Q3W C6 H10 B9 N O2 S B123B45B16....
142 3IBL Ki = 14.6 nM O59 C8 H20 N2 O6 S2 C(CCCCOS(=....
143 6UGQ - Q7A C7 H5 Cl N2 O3 S c1cc2c(c(c....
144 6YZL - Q3T C3 H4 B10 N O2 S B1234B567B....
145 5CLU Ki = 78 uM S8A C9 H7 N O5 S c1ccc2c(c1....
146 6RVL Ki = 1148 nM KKE C14 H14 B N2 O3 S [B+]1(c2cc....
147 5FLR Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
148 5EKH Kd = 1.11 uM 5RD C11 H18 N2 O2 S CCCCNCc1cc....
149 5JG5 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
150 6GOT Ki = 0.4 nM F6W C14 H15 N O2 S2 c1ccc(cc1)....
151 6ROB - KBZ C7 H6 N2 O2 S c1cc(ccc1C....
152 5ULN Ki = 14.2 nM 8JS C13 H12 F N3 O2 S2 c1cc(ccc1N....
153 1IF6 - FBU C6 H5 F2 N O2 S c1c(cc(cc1....
154 2O4Z Ki = 566 nM HSW H4 N2 O3 S NS(=O)(=O)....
155 3T84 Ki = 106 nM SG6 C8 H15 N O9 S CC(=O)O[C@....
156 4Q78 - 25X C3 H5 B10 N2 O2 S B1234B567B....
157 7JNW Ki = 75.1 nM VFM C6 H10 N4 O3 S2 CC(C)C(=O)....
158 5EH8 Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
159 6C7X Ki = 65.2 nM EO7 C10 H13 Cl N6 O6 S c1nc2c(nc(....
160 7K6Z - VZD C15 H17 F N4 O5 S2 c1cc(ccc1N....
161 5JGT - EVI C3 H4 N2 O2 S2 c1csc(n1)S....
162 2WD2 - MS5 C18 H22 N2 O5 S COc1cccc(c....
163 1CRA - TRI C2 H3 N3 c1[nH]cnn1
164 6QL1 Kd = 15 nM V50 C12 H9 F4 N3 O2 S2 Cc1cc(nc(n....
165 6MBY - FER C10 H10 O4 COc1cc(ccc....
166 5W8B - A57 C17 H26 N3 Cc1cc([n+]....
167 4KNJ Kd = 11.1 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
168 1OKM - SAB C11 H17 N3 O3 S c1cc(ccc1C....
169 3RZ5 Kd = 13 nM RZ5 C12 H18 N2 O3 S CCCCCNC(=O....
170 4Q7S Ki = 38 uM 2YU C6 H7 N O S CC1=CC(=S)....
171 6U4T Ki = 78.7 nM PX7 C8 H8 N2 O3 S CN1c2ccccc....
172 3N4B Ki = 96 nM WWZ C13 H12 F N3 O3 S c1cc(ccc1N....
173 3M1K Ki = 4.1 uM BEW C5 H6 N O S c1cc[n+](c....
174 1CIM Ki = 1.52 nM PTS C8 H12 N2 O4 S3 C[C@H]1C[C....
175 4MLT Ki = 1.4 mM TM4 C6 H6 O2 S CC1=C(C(=S....
176 3HKN Ki = 4.51 uM Z3K Z3L n/a n/a
177 4RFD Ki = 8.9 nM 3O5 C10 H16 N2 O3 S c1cc(ccc1O....
178 2GEH Ki = 28 uM NHY C H4 N2 O2 C(=O)(N)NO
179 4ZX1 - 5L3 C13 H24 N2 O11 S2 CC(=O)O[C@....
180 4E49 Ki = 7.7 uM RCO C6 H6 O2 c1cc(cc(c1....
181 6UFB Ki = 4.4 nM Q64 C17 H16 N2 O4 S CC(=O)/C(=....
182 6EDA Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
183 3M3X Kd = 0.15 uM JS7 C13 H15 N5 O5 S COc1c(c(nc....
184 6B5A - CQS C15 H17 N7 O3 S c1cc(ccc1C....
185 3B4F Ki = 7.2 nM TUO C15 H14 N4 O3 S c1ccc(cc1)....
186 5SZ0 Ki = 0.8 nM 72D C12 H11 N O2 S c1ccc(cc1)....
187 4E3G Ki = 10.6 uM PHB C7 H6 O3 c1cc(ccc1C....
188 4M2U Ki = 9.1 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
189 6EEO Ki = 0.37 uM J6V C14 H13 F N4 O6 S Cc1cc(ccc1....
190 4MDL Ki = 1.16 uM 25Y C3 H5 B10 N2 O2 S B1234B567B....
191 4R5B Ki = 185 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
192 4Q99 Ki = 0.52 uM HT4 C7 H8 O S Cc1ccc(c(c....
193 6WQ5 Ki = 57 nM U7G C26 H34 N4 O4 S c1ccc(cc1)....
194 5N0E Ki = 3.6 nM 8F3 C22 H20 N2 O5 S c1ccc(cc1)....
195 4Z1E Ki = 5.7 nM DF5 C17 H15 N2 O4 S COc1ccc2c(....
196 5WEX Ki = 66.3 nM 8JS C13 H12 F N3 O2 S2 c1cc(ccc1N....
197 1BNQ Kd = 0.32 nM AL4 C11 H19 N3 O5 S3 CCN[C@H]1C....
198 1XPZ Kd = 84 nM 4TZ C16 H14 N6 O3 S c1cc(ccc1C....
199 6H34 Ki = 0.5 nM FKK C18 H20 F N3 O3 S c1cc(ccc1C....
200 6SBH - BE7 C7 H5 Cl Hg O2 c1cc(ccc1C....
201 6QL2 Kd = 1.1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
202 4Z1N Ki = 5.89 nM 4KD C18 H20 N2 O5 S COc1cc2c(c....
203 6H2Z Ki = 0.5 nM FKE C18 H20 N2 O3 S c1ccc(cc1)....
204 2NNV Kd = 0.03 uM M29 C11 H15 N O4 S CCOC(=O)CC....
205 4Q8X Ki = 270 uM 7FH C6 H4 F3 N O S C1=CC(=S)N....
206 4KV0 Ki = 12 nM MB7 C13 H14 N4 O5 S2 Cc1ccc(cc1....
207 1G1D Kd = 0.36 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
208 4R5A Ki = 2 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
209 5SZ7 - 72H C15 H12 N2 O2 S c1ccc2c(c1....
210 4PZH Kd < 10 nM V13 C8 H7 F4 N O5 S2 C(CS(=O)(=....
211 4Q07 Kd = 7.3 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
212 3N3J Ki = 3.3 nM WWV C16 H19 N3 O3 S CC(C)c1ccc....
213 3CAJ Ki = 8 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
214 5DOH Kd = 32 nM 5DU C17 H17 F3 N2 O3 S2 c1ccc2c(c1....
215 5TI0 Ki = 61 uM 7CZ C7 H6 O S C1=CC=C(C(....
216 6SDJ - J3K C3 H9 N O C[C@H](CN)....
217 4RIU - 3QR C16 H18 N4 O9 S c1cc2c(cc1....
218 3NI5 Ki = 28 nM C1H C13 H15 N5 O9 S3 c1cc(cc(c1....
219 6YZX Ki = 29.48 nM Q3H C8 H14 B9 N O2 S B123B45B16....
220 3SBH Kd = 0.22 uM E65 C14 H15 N3 O3 S2 Cc1cc(nc(n....
221 6SAS - 463 C9 H12 N2 O CC(=O)Nc1c....
222 4QY3 Ki = 0.15 uM 3G1 C14 H12 O3 S c1ccc(cc1)....
223 3D9Z Ki = 2 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
224 5MJN Ki = 2.9 nM 7O8 C11 H10 Cl N O2 S3 c1cc(ccc1C....
225 6RG3 Ki = 8.1 nM K1W C18 H21 N3 O3 S c1ccc(cc1)....
226 6QFV Kd = 49 nM J0N C24 H29 Cl Ir N3 O3 S CC12C3([Ir....
227 4HEZ - 1MZ C4 H7 N2 Cn1cc[nH+]....
228 1G52 Kd = 0.29 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
229 5TY8 Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
230 6YO4 - P8B C5 H8 B10 N O2 S B1234B567B....
231 4Q87 Ki = 14 uM 4FH C6 H4 F3 N O S C1=CN(C(=S....
232 1I9O Kd = 3.8 nM IOC C14 H11 F3 N2 O3 S c1cc(ccc1C....
233 5FLQ Kd = 1080 uM IO2 C15 H14 O3 c1ccc(cc1)....
234 1YDD Kd = 86 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
235 2POV Ki = 75 nM I7B C6 H8 Cl N3 O4 S2 c1c(c(cc(c....
236 1G4J Kd = 2 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
237 6E91 Ki = 0.08 uM J04 C20 H23 N2 O7 S COc1cc(cc(....
238 3D8W Ki = 7 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
239 5FNH - YIP C8 H6 Cl N4 O c1cc(cc(c1....
240 2WEH Kd = 1125 nM FB1 C6 H6 Cl N O2 S c1ccc(c(c1....
241 5NXP Ki = 10.2 nM 9DH C15 H17 N3 O3 S CN(CC(=O)N....
242 3M67 Kd = 0.18 uM E36 C17 H14 Cl N3 O5 S2 c1cc(c(cc1....
243 1I9M Kd = 3.3 nM INW C14 H12 F2 N2 O3 S c1cc(ccc1C....
244 5JE7 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
245 2X7S Ki = 1660 nM WZC C19 H27 N O5 S C[C@]12CC[....
246 5BRU - 8TH C30 H35 Cl Ir N3 O4 S2 CCCC12C3([....
247 2FMG - PHE C9 H11 N O2 c1ccc(cc1)....
248 1TTM Kd = 45 nM 667 C14 H15 N O5 S c1cc2c(cc1....
249 5NY6 Ki = 13.5 nM R92 C15 H15 Cl N2 O4 S C[C@@H](c1....
250 3MHM Kd = 0.1 uM J75 C18 H18 N6 O4 S c1ccc(cc1)....
251 2POW Ki = 63 nM I7C C7 H8 F3 N3 O4 S2 c1c(c(cc(c....
252 6RM1 - 45L C8 H10 N2 O Cc1cccc(c1....
253 5TXY Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
254 6YZS Ki = 1296 nM Q3N C7 H12 B10 N O2 S B1234B567B....
255 1AVN Kd = 0.125 mM HSM C5 H9 N3 c1c(nc[nH]....
256 6E8P - HZJ C18 H22 N2 O6 S2 C[C@]12CCc....
257 5EHW Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
258 1LUG - SUA C13 H14 N2 O3 S3 c1cc(ccc1N....
259 5LJQ Ki = 1 nM ANV C15 H16 N4 O3 S c1ccc(cc1)....
260 4E4A ic50 = 9 mM JKE C7 H6 O2 S c1ccc(c(c1....
261 1ZE8 Ki = 21 nM PIU C16 H21 N2 O2 S Cc1cc([n+]....
262 6UGZ - Q71 C7 H5 F N2 O3 S c1cc2c(cc1....
263 6S9Z - L2K C11 H10 F2 N4 c1cc(c(cc1....
264 1BNN Kd = 0.1 nM AL1 C13 H14 N2 O5 S3 COc1cccc(c....
265 6QL3 Kd = 4.5 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
266 4RUX Ki = 12 nM 3W3 C9 H11 N O3 S C=CCOc1ccc....
267 5BNL - 2HC C9 H8 O3 c1ccc(c(c1....
268 1XQ0 Kd = 454 nM 4TR C16 H13 Br N6 O3 S c1cc(ccc1C....
269 2Q1B Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
270 4Q8Y Ki = 2300 uM HQT C9 H7 N O S c1ccc2c(c1....
271 5THN Ki = 96 uM 7CZ C7 H6 O S C1=CC=C(C(....
272 4YXO Kd = 91.4 nM 4JC C8 H11 N O2 S CCc1ccc(cc....
273 5DOG - 5DT C21 H19 F3 N2 O2 S2 c1ccc(cc1)....
274 3BET ic50 = 1.5 uM CTF C21 H28 N2 O4 S C[C@]12CC[....
275 6QFW Kd = 149 nM JR8 C25 H31 Cl Ir N3 O4 S CC12C3([Ir....
276 6GCY Ki = 50 nM 3QR C16 H18 N4 O9 S c1cc2c(cc1....
277 7JNR Ki = 66.5 nM VFG C5 H8 N4 O3 S2 CCC(=O)Nc1....
278 4R59 Ki = 11 nM 3J3 C11 H22 N2 O10 S2 C1CN(CCC1O....
279 5DRS Kd = 1.1 nM 5EF C17 H17 F3 N2 O5 S2 c1ccc2c(c1....
280 5FDC Ki = 34.8 nM 5WN C9 H10 N2 O2 S2 c1ccc2c(c1....
281 1YDA Kd = 280 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
282 5NXI Ki = 217.4 nM 9DE C12 H11 Br N2 O4 S2 c1cc(ccc1N....
283 1CNX Kd = 43 nM EG2 C13 H21 N3 O5 S c1cc(ccc1C....
284 6RMP - 47S C9 H13 N3 O CN(C)c1ccc....
285 5LMD - RC4 C16 H18 B N2 O5 [B-]1(c2cc....
286 4BCW - TU0 C8 H7 Br O4 S c1cc(c(cc1....
287 5AML Ki = 0.7 nM 51J C11 H12 N2 O6 S2 CC#CCNS(=O....
288 4Q7V Ki = 260 uM 5MH C6 H7 N O S CC1=CN(C(=....
289 3RYX Kd = 7.3 nM RYX C10 H9 F5 N2 O3 S c1cc(ccc1C....
290 5EH5 Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
291 1IF9 - SBB C19 H21 N3 O3 S CC[C@H](CN....
292 5FNI Kd = 330 uM YIH C8 H5 Cl2 N4 O c1cc(c(cc1....
293 6RHJ Ki = 2.3 nM K4H C19 H23 N3 O3 S c1ccc(cc1)....
294 4RN4 Ki = 114 nM 3T7 C20 H24 N10 O7 S2 c1ccc(cc1)....
295 2H15 Ki = 2135 nM B19 C12 H22 N2 O7 S CC1(O[C@@H....
296 4Q8Z - 4HO C6 H7 N O2 CC1=CC(=O)....
297 3T82 Ki = 101 nM SG4 C10 H17 N O10 S CC(=O)O[C@....
298 1KWR ic50 = 0.25 uM SG2 C8 H8 N2 O3 S2 CN1c2ccc(c....
299 5THI Ki = 245 uM 0TR C7 H6 O2 C1=CC=C(C(....
300 1OQ5 ic50 = 21 nM CEL C17 H14 F3 N3 O2 S Cc1ccc(cc1....
301 2HL4 Ki = 23 nM BO1 C12 H18 N2 O7 S c1cc(ccc1N....
302 2OSM Ki = 1.05 uM HTS C6 H6 O S c1ccc(c(c1....
303 3P58 Ki = 25.4 nM P58 C9 H11 N S2 CN(Cc1cccc....
304 1G53 Kd = 0.91 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
305 5WG7 - AUD C4 H5 N O4 S CC1=CC(=O)....
306 4MTY - SBW C14 H14 N2 O4 S c1cc(cc(c1....
307 6T4N Kd = 14 uM F1A C9 H13 N O2 S Cc1cc(c(c(....
308 3BL0 Ki = 121 nM BL0 C5 H10 N4 O2 S2 CN(C)c1nnc....
309 2QOA Ki = 52 nM MAJ C9 H11 N O2 S c1cc2c(cc1....
310 3SAX Kd = 0.14 uM E50 C14 H14 Cl N3 O3 S2 CCc1cnc(nc....
311 4HEY - 4MZ C4 H6 N2 Cc1c[nH]cn....
312 1BCD Kd = 2 nM FMS C H2 F3 N O2 S C(F)(F)(F)....
313 5NEE Ki = 0.02 nM 8V5 C12 H13 N3 O5 S2 c1cc(sc1c2....
314 5E2R Ki = 86.2 nM 520 C19 H16 N2 O3 S c1cc(ccc1c....
315 3RZ7 Kd = 1.1 nM RZ7 C13 H9 F11 N2 O3 S c1cc(ccc1C....
316 3MHL Kd = 0.056 uM J71 C12 H13 N5 O5 S COc1c(c(nc....
317 7K6X - VZ1 C17 H22 N4 O5 S2 Cc1cc(cc(c....
318 2FNN Ki = 200 mM 4MZ C4 H6 N2 Cc1c[nH]cn....
319 3P5L Ki = 40.8 nM IT5 C13 H14 N2 S2 c1ccc(cc1)....
320 5E2S Ki = 0.98 nM 5CX C15 H17 N O2 S CC(C)c1ccc....
321 4Q08 Kd = 500 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
322 2WD3 ic50 = 86 nM MS4 C16 H12 Cl N5 O3 S c1cc(c(cc1....
323 6RVF Ki = 730 nM KKH C14 H14 B N2 O4 B1(c2cc(cc....
324 2POU Ki = 38 nM I7A C6 H6 Cl2 N2 O4 S2 c1c(cc(c(c....
325 6G3Q Ki = 57.9 nM FO9 C8 H17 N7 O2 S3 C1C(=NC(=S....
326 6UGO - Q77 C9 H10 N2 O3 S Cc1cc(c2c(....
327 4E3F ic50 = 3 mM GRE C7 H6 O4 c1cc(c(c(c....
328 3NB5 Ki = 18 nM R21 C16 H17 Cl N2 O4 S c1cc(ccc1C....
329 6EBE Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
330 5AMG Ki = 6 nM IW7 C12 H18 N2 O6 S2 CCCCCNS(=O....
331 2HOC Ki = 0.3 nM 1CN C8 H7 Cl F N5 O4 S3 c1c(cc(c(c....
332 1I9N Kd = 2.2 nM IOA C14 H12 F2 N2 O3 S c1cc(ccc1C....
333 6SAY - L3Q C6 H10 N2 O2 C1CN2[C@@H....
334 6YQU - P92 C7 H5 N O S c1ccc2c(c1....
335 3DD8 Ki = 14 nM 2C7 C16 H21 N O5 S2 c1cc2c(cc1....
336 4Q9Y Ki = 2.1 uM M3T C7 H8 S Cc1cccc(c1....
337 5FLP Kd = 631 uM 6J5 C8 H7 Cl N4 O c1ccc(c(c1....
338 2WEG Kd = 314 nM FBV C6 H6 F N O2 S c1ccc(c(c1....
339 3RZ0 Kd = 28 nM RZ0 C11 H16 N2 O3 S CCCCNC(=O)....
340 4ZWY Ki = 10 nM 4SN C19 H32 N2 O14 S2 CC(=O)OC[C....
341 1CNY Kd = 14 nM EG3 C22 H30 N4 O6 S c1ccc(cc1)....
342 3MMF Ki = 37 nM D9H C11 H13 Cl N6 O3 S c1cc(ccc1N....
343 5TFX Ki = 60.9 nM 7B1 C14 H11 N3 O4 S c1ccc(cc1)....
344 4WW6 Kd = 0.062 nM 3TV C9 H9 F4 N O2 S2 CCCSc1c(c(....
345 3SAP Kd = 0.014 uM E2I C16 H19 N3 O3 S2 CCCCc1cnc(....
346 2FOV Kd = 28 nM B30 C13 H15 Cu N3 O7 S c1cc(ccc1C....
347 2X7U Ki = 5340 nM WZA C19 H27 N O5 S C[C@]12CC[....
348 5JEG - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
349 2NNS Kd = 0.9 uM M25 C10 H14 N2 O3 S CC(=O)NCCc....
350 4Q6E Kd = 0.667 uM KR5 C14 H18 N4 O3 S Cc1cc(n(n1....
351 4JSZ Ki = 5000 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
352 6RH4 - 4NZ C6 H6 N2 O4 S c1cc(ccc1[....
353 5FDI Ki = 18.5 nM 5WM C9 H10 N2 O4 S2 c1ccc2c(c1....
354 6YOL - P5T C5 H8 B9 N O2 S B123B45B16....
355 6WQ9 Ki = 72.5 nM U7J C32 H35 N3 O5 S c1ccc(cc1)....
356 5GMN Kd = 18.8 uM 949 C18 H16 F N O4 S CC1(C(=O)C....
357 3FFP Ki = 72.5 nM LC1 C10 H8 N4 O2 S2 c1cc2c(cc1....
358 3R17 Ki = 390 nM 5UM C12 H11 F N2 O3 S2 c1cc(sc1)C....
359 5SZ2 Ki = 2 nM 72G C13 H11 N O3 S c1cc(cc(c1....
360 2HD6 Ki = 16 nM BOS C13 H12 N2 O3 S2 c1ccc(c(c1....
361 2QO8 Ki = 3.4 nM 3CC C17 H26 N2 O3 S CCCC(CCC)C....
362 5FNJ Kd = 5150 uM YI6 C10 H12 O3 CCOc1ccc(c....
363 1I91 ic50 = 1.15 nM INQ C17 H19 N3 O6 S3 c1cc(cc(c1....
364 4YXI Kd = 318.8 nM 4J8 C7 H9 N O2 S Cc1ccc(cc1....
365 6YZP - Q3H C8 H14 B9 N O2 S B123B45B16....
366 6YZN - Q3Q C6 H10 B10 N O2 S B1234B567B....
367 6YZW Ki = 821.2 nM Q3K C8 H14 B10 N O2 S B1234B567B....
368 6VJ3 - QYA C12 H12 N4 O5 S c1cc(ccc1N....
369 6UFD Ki = 2.9 nM Q6D C15 H14 N2 O4 S2 CC(=O)/C(=....
370 1BN1 Kd = 0.46 nM AL5 C12 H14 N2 O4 S3 Cc1ccc(cc1....
371 5JQT Ki = 8180 nM 6M9 C7 H7 B O2 B1(c2ccccc....
372 1G48 Kd = 3.9 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
373 5SZ4 - 72D C12 H11 N O2 S c1ccc(cc1)....
374 1AM6 ic50 = 47 uM HAE C2 H5 N O2 CC(=O)NO
375 1OKL Kd = 0.93 uM MNS C12 H14 N2 O2 S CN(C)c1ccc....
376 3OY0 Ki = 10.1 nM OY0 C15 H24 N2 O3 S CCC[C@H](C....
377 2FOS Kd = 27 nM B17 C17 H23 Cu N3 O9 S c1cc(ccc1C....
378 6RRG - FBU C6 H5 F2 N O2 S c1c(cc(cc1....
379 2EZ7 Kd = 43.5 uM DHI C6 H10 N3 O2 c1c([nH+]c....
380 6HX5 Ki = 2.2 uM GXE C6 H6 Se c1ccc(cc1)....
381 3MZC Ki = 226 nM S6I C12 H17 N3 O3 S c1cc(ccc1N....
382 5A6H Ki = 88 nM OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
383 1IF7 Kd = 30 pM SBR C19 H21 N3 O3 S C[C@H](CNC....
384 7JO1 Ki = 2.1 nM VFJ C6 H10 N4 O3 S2 CCCC(=O)Nc....
385 3DCW Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
386 6T81 Kd = 0.77 uM MUE C10 H9 N O2 S c1ccc2cc(c....
387 5JGS - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
388 3C7P ic50 = 0.1 nM POF C24 H27 N3 O5 S C[C@]12CC[....
389 6MBV - NIO C6 H5 N O2 c1cc(cnc1)....
390 5O07 Ki = 33.8 nM 1VQ C6 H10 N4 O5 S Cc1ncc(n1C....
391 5TH4 - BEW C5 H6 N O S c1cc[n+](c....
392 6RIT - FBV C6 H6 F N O2 S c1ccc(c(c1....
393 6YZK - Q3N C7 H12 B10 N O2 S B1234B567B....
394 3DAZ Ki = 11.8 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
395 4PQ7 Ki = 9.5 nM IL3 C11 H14 N2 O3 S CC#CCOc1cc....
396 6SDS Ki = 37.9 nM L8N C12 H12 N O5 P S c1ccc(cc1)....
397 6RNP - KBB C6 H5 F2 N O2 S c1cc(c(cc1....
398 5L3O - QUJ QUK 6H0 QVS QVE n/a n/a
399 1G54 Kd = 1.5 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
400 4Z1K Ki = 4.7 nM 4KB C16 H16 N2 O5 S c1cc(ccc1C....
401 4JSS Ki = 500 uM BEW C5 H6 N O S c1cc[n+](c....
402 2Q38 Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
403 3HS4 Ki = 10 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
404 6YO7 - P7Z C8 H16 B10 N2 O4 S2 B1234B567B....
405 4BF6 Ki = 4.5 nM X0Q C13 H9 N5 O2 S2 c1cc(cc(c1....
406 2HKK Ka = 96 M^-1 ALE C9 H13 N O3 CNC[C@@H](....
407 6SB7 - 8K2 C4 H4 Cl N O2 S2 c1cc(sc1S(....
408 7K6U - VYY C16 H20 N4 O5 S2 Cc1ccc(cc1....
409 2NNG Kd = 4.4 uM ZYX C8 H12 N2 O2 S c1cc(ccc1C....
410 3F8E Ki = 59 nM TE1 C15 H20 O5 CC(C)C[C@@....
411 5NYA Ki = 415.6 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
412 5FLO Kd = 709 uM J4K C8 H7 Cl N4 O c1cc(ccc1O....
413 3DD0 Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
414 3ML2 Ki = 9.1 nM SU0 C18 H16 N2 O6 S COc1ccc2c(....
415 6RL9 - SAN C6 H8 N2 O2 S c1cc(ccc1N....
416 4M2R Ki = 3.2 nM BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
417 4JSA Ki = 11 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
418 3CYU Kd = 60 nM 0CR C74 H74 N10 O18 S COc1cc2c3c....
419 6EEA Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
420 1IF4 - FBS C6 H6 F N O2 S c1cc(ccc1F....
421 1BNW Kd = 0.83 nM TPD C9 H10 N2 O4 S4 c1cc(sc1)C....
422 2EU3 - FF3 C3 H4 F2 N4 O2 S2 c1(nnc(s1)....
423 2QP6 Ki = 208 nM MB1 C6 H5 Cl N2 O4 S c1cc(c(cc1....
424 6U4Q Ki = 150.3 nM PX7 C8 H8 N2 O3 S CN1c2ccccc....
425 5JES - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
426 5JDV - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
427 4MDM Ki = 6.79 uM 26E C3 H5 B9 N2 O2 S B123B45B16....
428 3RZ8 Kd = 6.7 nM RZ8 C13 H20 N2 O3 S CCCCCCNC(=....
429 3EFT Ki = 12 nM 3BS C16 H25 Cl N4 O3 S2 CC1(CC(CC(....
430 5U0D Kd = 28.6 uM 7R7 C11 H11 N O4 S COc1ccc(c(....
431 6YOK - P82 C8 H16 B10 N2 O4 S2 B1234B567B....
432 1CIN Ki = 1.88 nM MTS C9 H14 N2 O4 S3 C[C@H]1C[C....
433 6ECZ Ki = 0.27 uM J4D C13 H6 F5 N4 O8 S c1c(cc(c(c....
434 6RG4 Ki = 5.4 nM K45 C19 H23 N3 O3 S CN1CCN(C[C....
435 4MLX Ki = 0.65 mM TM7 C6 H6 O2 S CC1=CC(=S)....
436 2FMZ Ki = 35 nM DPN C9 H11 N O2 c1ccc(cc1)....
437 5SZ6 - 72G C13 H11 N O3 S c1cc(cc(c1....
438 3IEO Ki = 331 nM AMJ C13 H18 N2 O3 CC(=O)N[C@....
439 3F4X Ki = 138 nM KLT C14 H11 Cl N2 O4 S c1ccc2c(c1....
440 6YZU Ki = 299.4 nM Q4B C7 H12 B9 N O2 S B123B45B16....
441 3T5U Ki = 5.47 uM A09 C6 H7 N O3 S c1ccc(cc1)....
442 1BNU Kd = 0.2 nM AL3 C11 H12 N2 O5 S4 c1cc(sc1)C....
443 1OKN Kd = 2.3 nM STB C12 H19 N3 O3 S2 c1cc(ccc1C....
444 7JO0 Ki = 12.8 nM VFG C5 H8 N4 O3 S2 CCC(=O)Nc1....
445 3DBU Ki = 8.8 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
446 7K6L Ki = 458.3 nM VZD C15 H17 F N4 O5 S2 c1cc(ccc1N....
447 4MO8 Ki = 10.1 nM 2VQ C6 H11 N5 O4 S Cc1ncc(n1C....
448 1I9P Kd = 3.9 nM IOE C14 H11 F3 N2 O3 S c1cc(ccc1C....
449 6B59 Ki = 8.2 nM CQS C15 H17 N7 O3 S c1cc(ccc1C....
450 3N2P Ki = 15 nM AYX C13 H12 N4 O5 S c1cc(cc(c1....
451 6T4P Kd = 2.9 uM MHK C10 H9 N O2 S c1ccc2c(c1....
452 4QJM Kd = 6.7 nM V1F C21 H19 F3 N2 O4 S2 c1ccc(cc1)....
453 3M40 Kd = 0.17 uM J45 C10 H8 Cl N5 O4 S c1cc(ccc1N....
454 5TY9 Kd = 6.1 uM 7QV C11 H11 N O5 COc1ccc(c(....
455 5NXV Ki = 3.5 nM 9E2 C12 H12 Cl N5 O5 S Cc1c(c(nn1....
456 5NXO Ki = 4.9 nM 9HK C13 H12 N2 O4 S c1cc(ccc1C....
457 2FOU Kd = 80 nM B22 C21 H22 Cu N4 O8 S c1cc(cc(c1....
458 4QSA Kd = 40 nM EWW C13 H12 Cl N3 O4 S2 CC1=CC(=O)....
459 5FNG Kd = 1105 uM YIE C8 H6 Cl N4 c1cc(ccc1C....
460 6QFX Kd = 20 nM JR3 C24 H28 Cl Ir N4 O5 S CC12C3([Ir....
461 4BF1 Ki = 2.4 nM 9FK C16 H12 N4 O2 S2 c1ccc2c(c1....
462 6C7W Ki = 3410 nM LMS C10 H14 N6 O6 S c1nc(c2c(n....
463 4ZWI - 62I C13 H24 N2 O11 S2 CC(=O)OC[C....
464 1BN3 Kd = 0.13 nM AL6 C13 H12 N2 O5 S3 COc1cccc(c....
465 4Q90 Ki = 7 mM 4H2 C6 H7 N S CC1=CC(=S)....
466 5EHV Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
467 4MDG Ki = 0.7 uM 25X C3 H5 B10 N2 O2 S B1234B567B....
468 6YZR Ki = 333 nM Q3W C6 H10 B9 N O2 S B123B45B16....
469 5JQ0 - 6M4 C7 H8 B O3 [B-]1(c2cc....
470 6RS5 - KGK C7 H5 F4 N O2 S Cc1c(c(c(c....
471 6UX1 ic50 = 6.6 mM SAL C7 H6 O3 c1ccc(c(c1....
472 3MNU Ki = 48 nM BON C12 H19 B N2 O4 S B1(OC(C(O1....
473 2ABE Ki = 113 uM HIS C6 H10 N3 O2 c1c([nH+]c....
474 4HEW - 2MZ C4 H6 N2 Cc1[nH]ccn....
475 5G01 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
476 3RYY Kd = 38 nM RYY C10 H14 N2 O3 S CCCNC(=O)c....
477 5NXW Ki = 57.4 nM RA9 C10 H11 N5 O3 S3 c1cc(ccc1N....
478 6RQI - FBW C6 H6 F N O2 S c1cc(cc(c1....
479 3SBI Kd = 0.017 uM E90 C12 H11 N3 O3 S2 c1cnc(nc1)....
480 6YOI - P7H C8 H16 B10 N2 O4 S2 B1234B567B....
481 5FNL Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
482 3RZ1 Kd = 1.8 nM RZ1 C12 H9 F9 N2 O3 S c1cc(ccc1C....
483 4QSB Kd = 1300 nM EWY C13 H13 N3 O4 S2 CC1=CC(=O)....
484 1YDB Kd = 5.8 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
485 5EKJ Kd = 1 uM TG4 C14 H23 N3 O3 S CCCCNCC(=O....
486 4Q7W Ki = 2300 uM 6MH C6 H7 N O S CC1=CC=CC(....
487 2EU2 - 5DS C5 H11 N5 O2 S2 CN(C)c1nnc....
488 4CQ0 - SXS C7 H6 N2 O3 S c1cc2c(cc1....
489 1MOO - 4MZ C4 H6 N2 Cc1c[nH]cn....
490 7K6K Ki = 474.5 nM VZ1 C17 H22 N4 O5 S2 Cc1cc(cc(c....
491 3DC3 Ki = 4.9 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
492 3MNA Ki = 41 nM DWH C12 H13 Cl N6 O4 S COC(=O)CNc....
493 6UH0 Ki = 853.1 nM PX7 C8 H8 N2 O3 S CN1c2ccccc....
494 1CNW Kd = 19 nM EG1 C15 H24 N4 O6 S c1cc(ccc1C....
495 7JNZ Ki = 62.8 nM VGV C9 H14 N4 O3 S2 C1CCC(CC1)....
496 6UGP Ki = 685.5 nM Q7A C7 H5 Cl N2 O3 S c1cc2c(c(c....
497 4Z0Q Ki = 6.8 nM 4K9 C16 H16 N2 O3 S c1ccc2c(c1....
498 6ROE - FBT C6 H5 F2 N O2 S c1cc(c(c(c....
499 6YZV Ki = 21 nM Q2Z C4 H6 B10 N O2 S B1234B567B....
500 6YQT - P9E C7 H6 N2 O3 S2 c1cc2c(cc1....
501 4LP6 - Q4I C68 H64 N12 O16 S CC(C)COc1c....
502 5THJ Ki = 1350 uM 0TR C7 H6 O2 C1=CC=C(C(....
503 6YZM - Q4B C7 H12 B9 N O2 S B123B45B16....
504 2HNC Ki = 60 nM 1SA C2 H4 N4 O2 S2 c1(nnc(s1)....
505 6WQ7 Ki = 30.4 nM U6V C28 H35 F N4 O3 S c1ccc(cc1)....
506 6RKN - FBS C6 H6 F N O2 S c1cc(ccc1F....
507 6OE1 Ki = 3.1 nM M8V C16 H20 N4 O5 S c1cc(ccc1N....
508 6RHK Ki = 0.6 nM K4B C17 H19 N3 O3 S c1ccc(cc1)....
509 3S9T Kd = 0.22 uM E49 C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
510 4ILX Ki = 233 nM 1EZ C18 H24 N2 O3 S c1cc(ccc1N....
511 5AMD Ki = 2.8 nM 45I C15 H16 N2 O6 S2 c1ccc(cc1)....
512 6R6F - EA3 C15 H21 Cl N2 O4 S2 c1c(c(cc(c....
513 3P4V Ki = 8 uM PMX C14 H14 Cl N O6 COC(=O)/C=....
514 7JOC ic50 = 6.4 nM ARZ C13 H18 N4 O3 S2 C1C2CC3CC1....
515 3IBI Ki = 2.6 nM BOW C8 H19 N O3 S CCCCCCCCOS....
516 5JEH - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
517 2H4N Kd = 0.002 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
518 6EQU Ki = 419 nM BVE C31 H27 N2 O2 S c1ccc(cc1)....
519 5TY1 Kd = 3.5 uM 7QV C11 H11 N O5 COc1ccc(c(....
520 7K6I Ki = 444.5 nM VYV C15 H18 N4 O5 S2 c1ccc(cc1)....
521 6RRI - KFH C6 H3 F4 N O2 S c1c(c(c(c(....
522 5FNM Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
523 1ZSB Kd = 250 mM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
524 6E8X Ki = 0.07 uM J0A C19 H22 N2 O7 S2 C[C@]12C=C....
525 3OYQ Ki = 10.3 nM OYQ C13 H20 N2 O3 S CC[C@H](C)....
526 3T85 Ki = 11.3 nM SG7 C10 H17 N O10 S CC(=O)O[C@....
527 1IF5 - FBT C6 H5 F2 N O2 S c1cc(c(c(c....
528 3IBN Ki = 24.5 nM O60 C10 H24 N2 O6 S2 C(CCCCCOS(....
529 4KAP - 1QV C7 H2 F4 N2 O2 S2 c12c(c(c(c....
530 5E28 Ki = 12.3 nM BC5 C12 H12 N2 O2 S c1cc(ccc1c....
531 5WGP - AUD C4 H5 N O4 S CC1=CC(=O)....
532 5LVS - QUJ QUK 6H0 QVS QVE n/a n/a
533 5SZ1 Ki = 1.2 nM 72E C13 H13 N O2 S Cc1ccccc1c....
534 1I90 ic50 = 1.28 nM INM C10 H15 N3 O5 S3 COCCC[N@]1....
535 6D1M Ki = 6.3 nM FQY C12 H17 N O2 S Se c1cc(ccc1S....
536 5NY1 Ki = 366.7 nM 9E5 C19 H20 N2 O4 S Cc1ccc2c(c....
537 4IWZ Ki = 51 nM 1GO C8 H8 N4 O3 S3 c1cc(sc1)C....
538 4E3H Ki = 90 nM HQE C6 H6 O2 c1cc(ccc1O....
539 1I8Z ic50 = 1.27 nM INL C18 H21 N3 O6 S3 COc1cccc(c....
540 6E92 Ki = 0.002 uM HZY C19 H21 N2 O6 S COc1cc(cc(....
541 2F14 Kd = 0.64 nM FL1 C29 H23 N3 O7 S2 c1cc(ccc1C....
542 6UFC Ki = 0.45 nM Q6A C18 H18 N2 O5 S CC(=O)/C(=....
543 3R16 Ki = 50 nM 5UN C12 H12 N2 O3 S2 c1cc(sc1)C....
544 6EEH Ki = 0.29 uM J4D C13 H6 F5 N4 O8 S c1c(cc(c(c....
545 1CIL Ki = 0.372 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
546 5WLV Ki = 3 nM 42G C21 H29 N3 O5 S CC(C)NC[C@....
547 4ZX0 - 5L2 C14 H24 N2 O13 S2 CC(=O)OC[C....
548 6WQ8 Ki = 2.4 nM U77 C26 H31 N3 O6 S c1ccc(cc1)....
549 3MHI Kd = 0.2 uM J90 C11 H11 N5 O5 S c1cc(ccc1C....
550 3DCC Ki = 1.1 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
551 6UZU Ki = 7 nM 6LU C15 H17 N3 O3 S Cc1cc(cc(c....
552 4KNI Kd = 16.7 nM E1E C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
553 3IGP Ki = 32.8 nM DT7 C11 H16 N2 O4 S COc1cc2c(c....
554 3RYJ Kd = 16 nM RYJ C9 H9 F3 N2 O3 S c1cc(ccc1C....
555 2FOQ Kd = 235 nM B15 C20 H21 Cu N3 O7 S c1cc(ccc1C....
556 4ZWX Ki = 2 nM 5KZ C19 H32 N2 O14 S2 CC(=O)OC[C....
557 6T4O Kd = 18 uM MJ2 C8 H11 N O2 S Cc1cc(cc(c....
558 5N0D Ki = 3.3 nM 8F2 C22 H20 N2 O5 S c1ccc(cc1)....
559 4Q83 Ki = 64 uM 3FH C6 H4 F3 N O S C1=CN(C(=S....
560 7JO3 Ki = 8.2 nM VGS C7 H12 N4 O3 S2 CC(C)(C)C(....
70% Homology Family (600)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3K34 - SUA C13 H14 N2 O3 S3 c1cc(ccc1N....
2 4XE1 Ki = 77.3 nM IL5 C7 H6 N2 O5 S2 c1cc2c(cc1....
3 5JG3 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
4 4HT0 Kd = 10 nM V50 C12 H9 F4 N3 O2 S2 Cc1cc(nc(n....
5 1IF8 Kd = 230 pM SBS C19 H21 N3 O3 S C[C@@H](CN....
6 6ODZ Ki = 0.7 nM M8J C15 H18 N4 O5 S c1cc(ccc1N....
7 7JO2 Ki = 2.4 nM VFM C6 H10 N4 O3 S2 CC(C)C(=O)....
8 1I9L Kd = 3.3 nM INV C14 H13 F N2 O3 S c1cc(ccc1C....
9 6PGX Ki = 0.62 nM OJ4 C18 H24 N2 O8 S2 Te c1cc(ccc1O....
10 3VBD Ki = 8.6 nM 0FZ C16 H16 N2 O3 S COc1ccc2c(....
11 7JNX Ki = 63.4 nM VGS C7 H12 N4 O3 S2 CC(C)(C)C(....
12 3M5E Kd = 0.043 uM JDR C13 H13 Cl N4 O3 S2 CSc1nc(c(c....
13 6BBS - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
14 6FJJ Ki = 100 nM LSA C7 H5 N O3 S c1ccc2c(c1....
15 3P5A Ki = 0.95 nM IT2 C5 H9 N O S2 C1COCCN1C(....
16 2AW1 Ki = 43 nM COX C16 H14 N2 O3 S Cc1c(c(no1....
17 4M2W - ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
18 5J8Z Ki = 5 nM FC4 C20 H16 Cl N5 O4 S2 C[C@H](C(=....
19 4QTL Kd = 120 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
20 6QFU Kd = 35 nM J0K C24 H29 Cl Ir N3 O4 S CC12C3([Ir....
21 5BYI Ki = 30.7 nM 4WA C12 H12 N4 O2 S c1cc(ccc1N....
22 6G6T Kd = 0.16 nM ENN C11 H14 Cl2 N2 O3 S CCCCNC(=O)....
23 4PYX Kd = 730 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
24 5WLT Ki = 155.5 nM 86B C12 H20 N2 O4 S CC(C)NC[C@....
25 5FLT Kd = 1280 uM VJJ C13 H10 O3 c1ccc(cc1)....
26 4RIV - LSA C7 H5 N O3 S c1ccc2c(c1....
27 5NEA Ki = 0.05 nM 8V8 C10 H10 N2 O3 S Cc1ncc(o1)....
28 5EKM Kd = 0.48 uM TG5 C12 H19 N3 O3 S CCCCNCC(=O....
29 3MHC Ki = 11 nM ARZ C13 H18 N4 O3 S2 C1C2CC3CC1....
30 6T7U Ki = 0.5 nM X33 C5 H8 B10 N O2 S B1234B567B....
31 6YZJ - Q2Z C4 H6 B10 N O2 S B1234B567B....
32 5NXG Ki = 2.8 nM RA1 C13 H10 Cl N3 O5 S c1cc(ccc1N....
33 5L6K - QUK QVS 6H0 QUJ QVE n/a n/a
34 6B4D Ki = 0.78 uM 53X C15 H15 N3 O2 CCn1cc(c2c....
35 3M96 Kd = 0.06 uM E38 C15 H11 Br Cl N3 O3 S2 c1cc(c(cc1....
36 4ITP Ki = 54 nM 1GD C15 H16 N2 O3 S c1ccc(cc1)....
37 6CJV Ki = 300 nM RRY RRJ n/a n/a
38 2GD8 ic50 = 379 nM PO1 C19 H28 N2 O7 S2 C[C@]12CC[....
39 5G03 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
40 7JNV Ki = 53.8 nM VFJ C6 H10 N4 O3 S2 CCCC(=O)Nc....
41 4QSI Kd = 50 nM EWZ C16 H18 Cl N3 O4 S2 CC(C)(C)C1....
42 7K6T - VYV C15 H18 N4 O5 S2 c1ccc(cc1)....
43 1BNV Kd = 1.7 nM AL7 C14 H17 N3 O5 S3 CN[C@@H]1C....
44 1I9Q Kd = 3.9 nM IOF C14 H11 F3 N2 O3 S c1cc(ccc1C....
45 6IC2 Ki = 917.4 nM BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
46 6RSZ - KJ5 C8 H7 F4 N O2 S CCc1c(c(c(....
47 2Q1Q Ki = 7 nM OSP C10 H14 N2 O4 S2 c1cc(ccc1N....
48 5LJT Ki = 1.2 nM A6N C15 H16 N4 O3 S c1ccc(cc1)....
49 1G0E - 4MZ C4 H6 N2 Cc1c[nH]cn....
50 4QIY Kd = 50 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
51 2OSF Ki = 148 uM TH0 C6 H6 O2 S c1cc(c(cc1....
52 5BRV Kd = 0.96 nM 9TH C28 H31 Cl Ir N3 O4 S2 C[C-]12C3(....
53 6RW1 Ki = 1305 nM KL5 C15 H16 B N2 O3 S [B-]1(c2cc....
54 6SAC - 47J C6 H11 N3 Cc1cc(n(n1....
55 6D1L Ki = 7.6 nM FQV C10 H11 N O2 S Se CC#CC[Se]c....
56 5U0E Kd = 7.7 uM 7R4 C10 H9 N O S2 c1ccc(cc1)....
57 4PYY Kd = 59 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
58 6XXT Ki = 3.7 nM O42 C18 H19 N3 O4 S c1ccc(cc1)....
59 1G45 Kd = 2.3 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
60 5FNK Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
61 2NNO Kd = 0.4 uM M28 C9 H11 N O4 S c1cc(ccc1C....
62 4Q81 Ki = 950 uM 7MH C7 H9 N O S CC1=CC(=S)....
63 3CA2 - AMS C6 H7 Hg N2 O2 S c1cc(c(cc1....
64 4Q7P Ki = 48 uM 3MH C6 H7 N O S CC1=CC=CN(....
65 4YYT Kd = 418.3 nM S2O C8 H11 N O3 S c1cc(ccc1C....
66 5E2K Ki = 9.3 nM BX4 C12 H12 N2 O2 S c1cc(cc(c1....
67 3M2N - J74 C12 H12 Cl N5 O4 S c1cc(ccc1C....
68 6H3Q Ki = 47.3 nM FMH C10 H9 Cl N2 O2 S Se c1cc(ccc1c....
69 3OYS Ki = 9 nM OYS C14 H14 N2 O3 S c1ccc(cc1)....
70 6RVK Ki = 439 nM R29 C15 H16 B N2 O4 [B-]1(c2cc....
71 6H29 Ki = 2.4 uM FK8 C8 H9 N O2 c1ccc(cc1)....
72 3RYZ Kd = 2.4 nM RYZ C11 H9 F7 N2 O3 S c1cc(ccc1C....
73 4M2V - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
74 3S8X Kd = 0.07 uM E59 C13 H13 N3 O4 S2 CC1=CC(=O)....
75 5U0G - 7QY C12 H13 N O4 S COc1ccc(c(....
76 3K7K Kd ~ 8.86 nM KCS C H2 S3 C(=S)(S)S
77 3T83 Ki = 105 nM MG5 C15 H25 N O11 S CCC(=O)O[C....
78 3BL1 Ki = 2520 nM BL1 C16 H16 Cl N3 O3 S C[C@H]1Cc2....
79 5EH7 Kd = 330 uM 5O5 C8 H6 Cl2 N4 O c1cc(c(cc1....
80 4RUY Ki = 12.8 nM 3W6 C9 H13 N O3 S CCCOc1ccc(....
81 3MHO Kd = 0.32 uM J43 C12 H11 Cl N4 O3 S2 CSc1nc(c(c....
82 6UGN Ki = 763.5 nM Q77 C9 H10 N2 O3 S Cc1cc(c2c(....
83 6YZT Ki = 622 nM Q3E C5 H8 B10 N O2 S B1234B567B....
84 4YX4 Kd = 1073.4 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
85 4N16 ic50 = 0.22 mM CHD C24 H40 O5 C[C@H](CCC....
86 3K2F Ki = 63 nM NKX C14 H20 N4 O12 S3 CCN([C@H]1....
87 2WEO Kd = 118 nM FBW C6 H6 F N O2 S c1cc(cc(c1....
88 6UGR Ki = 533.6 nM Q71 C7 H5 F N2 O3 S c1cc2c(cc1....
89 3PO6 - DT9 C12 H18 N2 O4 S C[C@H]1c2c....
90 3V7X Ki = 2.7 nM D7A C17 H20 N2 O5 S COc1ccc(cc....
91 3IBU Ki = 0.7 nM O48 C10 H23 N O3 S CCCCCCCCCC....
92 6S03 Ki = 17 nM KPW C25 H26 N6 O2 S Cc1cccc(n1....
93 1BNT Kd = 0.16 nM AL2 C13 H14 N2 O6 S3 COc1ccc(cc....
94 4YXU Kd = 57.4 nM 4JE C9 H13 N O2 S CCCc1ccc(c....
95 4Q09 Kd = 6.7 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
96 6RJJ - K5W C6 H5 F2 N O2 S c1cc(c(c(c....
97 5FLS Kd = 905 uM 6ZX C10 H9 Cl O2 C/C(=CC(=O....
98 3DCS Ki = 11.4 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
99 5TYA Kd = 32.9 uM 7QS C9 H7 N O2 S c1ccc(cc1)....
100 7K6J Ki = 50.8 nM VYY C16 H20 N4 O5 S2 Cc1ccc(cc1....
101 3RYV Kd = 86 nM RYV C9 H12 N2 O3 S CCNC(=O)c1....
102 2WEJ Kd = 839 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
103 6WQ4 Ki = 368.5 nM U7A C29 H34 N4 O3 S c1ccc(cc1)....
104 3MYQ Kd = 0.03 uM E27 C18 H13 Cl N4 O3 S2 c1ccc2c(c1....
105 6SD7 - SXG C12 H3 F9 N2 O4 S2 c1(c(c(c(c....
106 6YO2 - P6Q C5 H8 B10 N O2 S B12B34B156....
107 4ZWZ - 510 C12 H22 N2 O12 S2 COC(=O)[C@....
108 6RZX Ki = 7 nM KPQ C4 H2 F9 N O2 S C(C(C(F)(F....
109 4Q6D Kd = 0.0435 uM WW3 C12 H18 N4 O2 S c1cc(ccc1/....
110 3V5G Ki = 74 nM 0F3 C6 H9 N3 O4 S2 c1cc(ccc1N....
111 1EOU ic50 = 36 nM SMS C9 H15 N O10 S2 CC1(O[C@H]....
112 4RFC Ki = 5.7 nM 3O1 C15 H24 N2 O5 S CC(C)(C)OC....
113 6H33 Ki = 0.6 nM FKQ C18 H20 N2 O4 S c1ccc(cc1)....
114 5VGY Kd = 65.5 uM 9AA C12 H14 N2 O4 S COc1ccc(c(....
115 1BN4 Kd = 0.49 nM AL9 C12 H14 N2 O5 S3 COc1ccc(cc....
116 6T9Z Ki = 1.178 nM MYW C5 H8 B9 N O2 S B123B45B16....
117 5NY3 Ki = 33.9 nM 9E8 C15 H16 Cl N3 O3 S c1cc(ccc1C....
118 1G4O Kd = 5.6 nM BSB C14 H14 N2 O3 S c1ccc(cc1)....
119 6S9G - L1Q C9 H9 F4 N O2 S CCCc1c(c(c....
120 6YZO - Q3K C8 H14 B10 N O2 S B1234B567B....
121 5SZ3 Ki = 2.5 nM 72H C15 H12 N2 O2 S c1ccc2c(c1....
122 6YZQ Ki = 870.1 nM Q3Q C6 H10 B10 N O2 S B1234B567B....
123 4RUZ - 3W8 C8 H11 N O3 S CCOc1ccc(c....
124 3KIG ic50 = 245 nM DA4 C8 H7 N O2 S C#Cc1cccc(....
125 3EFI - TRP C11 H12 N2 O2 c1ccc2c(c1....
126 5SZ5 - 72E C13 H13 N O2 S Cc1ccccc1c....
127 3N0N Ki = 50 nM P9B C13 H8 F5 N3 O3 S c1cc(ccc1N....
128 4Q06 Kd = 22 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
129 6CEH Ki = 36.5 nM EZ1 C9 H11 N O2 S Se C=CC[Se]c1....
130 2X7T Ki = 232 nM WZB C20 H30 N2 O6 S2 CCc1cc2c(c....
131 4Z1J Ki = 7.7 nM 4KC C16 H16 N2 O3 S c1ccc2c(c1....
132 5U0F Kd = 3.4 uM 7R1 C12 H13 N O3 S2 COc1ccc(c(....
133 6OE0 Ki = 1.2 nM M8S C17 H22 N4 O5 S c1cc(ccc1N....
134 3T5Z Ki = 8.96 uM B09 C7 H9 N O3 S CONS(=O)(=....
135 4FIK - TH0 C6 H6 O2 S c1cc(c(cc1....
136 7JOB Ki = 15.7 nM VGV C9 H14 N4 O3 S2 C1CCC(CC1)....
137 4E3D ic50 = 5 mM GTQ C7 H6 O4 c1cc(c(cc1....
138 1G46 Kd = 1.6 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
139 5JEP - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
140 6R6J Kd = 0.12 nM JTW C15 H15 Cl N2 O6 S2 c1ccc(cc1)....
141 6Z04 - Q3W C6 H10 B9 N O2 S B123B45B16....
142 3IBL Ki = 14.6 nM O59 C8 H20 N2 O6 S2 C(CCCCOS(=....
143 6UGQ - Q7A C7 H5 Cl N2 O3 S c1cc2c(c(c....
144 6YZL - Q3T C3 H4 B10 N O2 S B1234B567B....
145 5CLU Ki = 78 uM S8A C9 H7 N O5 S c1ccc2c(c1....
146 6RVL Ki = 1148 nM KKE C14 H14 B N2 O3 S [B+]1(c2cc....
147 5FLR Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
148 5EKH Kd = 1.11 uM 5RD C11 H18 N2 O2 S CCCCNCc1cc....
149 5JG5 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
150 6GOT Ki = 0.4 nM F6W C14 H15 N O2 S2 c1ccc(cc1)....
151 6ROB - KBZ C7 H6 N2 O2 S c1cc(ccc1C....
152 5ULN Ki = 14.2 nM 8JS C13 H12 F N3 O2 S2 c1cc(ccc1N....
153 1IF6 - FBU C6 H5 F2 N O2 S c1c(cc(cc1....
154 2O4Z Ki = 566 nM HSW H4 N2 O3 S NS(=O)(=O)....
155 3T84 Ki = 106 nM SG6 C8 H15 N O9 S CC(=O)O[C@....
156 4Q78 - 25X C3 H5 B10 N2 O2 S B1234B567B....
157 7JNW Ki = 75.1 nM VFM C6 H10 N4 O3 S2 CC(C)C(=O)....
158 5EH8 Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
159 6C7X Ki = 65.2 nM EO7 C10 H13 Cl N6 O6 S c1nc2c(nc(....
160 7K6Z - VZD C15 H17 F N4 O5 S2 c1cc(ccc1N....
161 5JGT - EVI C3 H4 N2 O2 S2 c1csc(n1)S....
162 2WD2 - MS5 C18 H22 N2 O5 S COc1cccc(c....
163 1CRA - TRI C2 H3 N3 c1[nH]cnn1
164 6QL1 Kd = 15 nM V50 C12 H9 F4 N3 O2 S2 Cc1cc(nc(n....
165 6MBY - FER C10 H10 O4 COc1cc(ccc....
166 5W8B - A57 C17 H26 N3 Cc1cc([n+]....
167 4KNJ Kd = 11.1 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
168 1OKM - SAB C11 H17 N3 O3 S c1cc(ccc1C....
169 3RZ5 Kd = 13 nM RZ5 C12 H18 N2 O3 S CCCCCNC(=O....
170 4Q7S Ki = 38 uM 2YU C6 H7 N O S CC1=CC(=S)....
171 6U4T Ki = 78.7 nM PX7 C8 H8 N2 O3 S CN1c2ccccc....
172 3N4B Ki = 96 nM WWZ C13 H12 F N3 O3 S c1cc(ccc1N....
173 3M1K Ki = 4.1 uM BEW C5 H6 N O S c1cc[n+](c....
174 1CIM Ki = 1.52 nM PTS C8 H12 N2 O4 S3 C[C@H]1C[C....
175 4MLT Ki = 1.4 mM TM4 C6 H6 O2 S CC1=C(C(=S....
176 3HKN Ki = 4.51 uM Z3K Z3L n/a n/a
177 4RFD Ki = 8.9 nM 3O5 C10 H16 N2 O3 S c1cc(ccc1O....
178 2GEH Ki = 28 uM NHY C H4 N2 O2 C(=O)(N)NO
179 4ZX1 - 5L3 C13 H24 N2 O11 S2 CC(=O)O[C@....
180 4E49 Ki = 7.7 uM RCO C6 H6 O2 c1cc(cc(c1....
181 6UFB Ki = 4.4 nM Q64 C17 H16 N2 O4 S CC(=O)/C(=....
182 6EDA Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
183 3M3X Kd = 0.15 uM JS7 C13 H15 N5 O5 S COc1c(c(nc....
184 6B5A - CQS C15 H17 N7 O3 S c1cc(ccc1C....
185 3B4F Ki = 7.2 nM TUO C15 H14 N4 O3 S c1ccc(cc1)....
186 5SZ0 Ki = 0.8 nM 72D C12 H11 N O2 S c1ccc(cc1)....
187 4E3G Ki = 10.6 uM PHB C7 H6 O3 c1cc(ccc1C....
188 4M2U Ki = 9.1 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
189 6EEO Ki = 0.37 uM J6V C14 H13 F N4 O6 S Cc1cc(ccc1....
190 4MDL Ki = 1.16 uM 25Y C3 H5 B10 N2 O2 S B1234B567B....
191 4R5B Ki = 185 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
192 4Q99 Ki = 0.52 uM HT4 C7 H8 O S Cc1ccc(c(c....
193 6WQ5 Ki = 57 nM U7G C26 H34 N4 O4 S c1ccc(cc1)....
194 5N0E Ki = 3.6 nM 8F3 C22 H20 N2 O5 S c1ccc(cc1)....
195 4Z1E Ki = 5.7 nM DF5 C17 H15 N2 O4 S COc1ccc2c(....
196 5WEX Ki = 66.3 nM 8JS C13 H12 F N3 O2 S2 c1cc(ccc1N....
197 1BNQ Kd = 0.32 nM AL4 C11 H19 N3 O5 S3 CCN[C@H]1C....
198 1XPZ Kd = 84 nM 4TZ C16 H14 N6 O3 S c1cc(ccc1C....
199 6H34 Ki = 0.5 nM FKK C18 H20 F N3 O3 S c1cc(ccc1C....
200 6SBH - BE7 C7 H5 Cl Hg O2 c1cc(ccc1C....
201 6QL2 Kd = 1.1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
202 4Z1N Ki = 5.89 nM 4KD C18 H20 N2 O5 S COc1cc2c(c....
203 6H2Z Ki = 0.5 nM FKE C18 H20 N2 O3 S c1ccc(cc1)....
204 2NNV Kd = 0.03 uM M29 C11 H15 N O4 S CCOC(=O)CC....
205 4Q8X Ki = 270 uM 7FH C6 H4 F3 N O S C1=CC(=S)N....
206 4KV0 Ki = 12 nM MB7 C13 H14 N4 O5 S2 Cc1ccc(cc1....
207 1G1D Kd = 0.36 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
208 4R5A Ki = 2 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
209 5SZ7 - 72H C15 H12 N2 O2 S c1ccc2c(c1....
210 4PZH Kd < 10 nM V13 C8 H7 F4 N O5 S2 C(CS(=O)(=....
211 4Q07 Kd = 7.3 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
212 3N3J Ki = 3.3 nM WWV C16 H19 N3 O3 S CC(C)c1ccc....
213 3CAJ Ki = 8 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
214 5DOH Kd = 32 nM 5DU C17 H17 F3 N2 O3 S2 c1ccc2c(c1....
215 5TI0 Ki = 61 uM 7CZ C7 H6 O S C1=CC=C(C(....
216 6SDJ - J3K C3 H9 N O C[C@H](CN)....
217 4RIU - 3QR C16 H18 N4 O9 S c1cc2c(cc1....
218 3NI5 Ki = 28 nM C1H C13 H15 N5 O9 S3 c1cc(cc(c1....
219 6YZX Ki = 29.48 nM Q3H C8 H14 B9 N O2 S B123B45B16....
220 3SBH Kd = 0.22 uM E65 C14 H15 N3 O3 S2 Cc1cc(nc(n....
221 6SAS - 463 C9 H12 N2 O CC(=O)Nc1c....
222 4QY3 Ki = 0.15 uM 3G1 C14 H12 O3 S c1ccc(cc1)....
223 3D9Z Ki = 2 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
224 5MJN Ki = 2.9 nM 7O8 C11 H10 Cl N O2 S3 c1cc(ccc1C....
225 6RG3 Ki = 8.1 nM K1W C18 H21 N3 O3 S c1ccc(cc1)....
226 6QFV Kd = 49 nM J0N C24 H29 Cl Ir N3 O3 S CC12C3([Ir....
227 4HEZ - 1MZ C4 H7 N2 Cn1cc[nH+]....
228 1G52 Kd = 0.29 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
229 5TY8 Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
230 6YO4 - P8B C5 H8 B10 N O2 S B1234B567B....
231 4Q87 Ki = 14 uM 4FH C6 H4 F3 N O S C1=CN(C(=S....
232 1I9O Kd = 3.8 nM IOC C14 H11 F3 N2 O3 S c1cc(ccc1C....
233 5FLQ Kd = 1080 uM IO2 C15 H14 O3 c1ccc(cc1)....
234 1YDD Kd = 86 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
235 2POV Ki = 75 nM I7B C6 H8 Cl N3 O4 S2 c1c(c(cc(c....
236 1G4J Kd = 2 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
237 6E91 Ki = 0.08 uM J04 C20 H23 N2 O7 S COc1cc(cc(....
238 3D8W Ki = 7 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
239 5FNH - YIP C8 H6 Cl N4 O c1cc(cc(c1....
240 2WEH Kd = 1125 nM FB1 C6 H6 Cl N O2 S c1ccc(c(c1....
241 5NXP Ki = 10.2 nM 9DH C15 H17 N3 O3 S CN(CC(=O)N....
242 3M67 Kd = 0.18 uM E36 C17 H14 Cl N3 O5 S2 c1cc(c(cc1....
243 1I9M Kd = 3.3 nM INW C14 H12 F2 N2 O3 S c1cc(ccc1C....
244 5JE7 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
245 2X7S Ki = 1660 nM WZC C19 H27 N O5 S C[C@]12CC[....
246 5BRU - 8TH C30 H35 Cl Ir N3 O4 S2 CCCC12C3([....
247 2FMG - PHE C9 H11 N O2 c1ccc(cc1)....
248 1TTM Kd = 45 nM 667 C14 H15 N O5 S c1cc2c(cc1....
249 5NY6 Ki = 13.5 nM R92 C15 H15 Cl N2 O4 S C[C@@H](c1....
250 3MHM Kd = 0.1 uM J75 C18 H18 N6 O4 S c1ccc(cc1)....
251 2POW Ki = 63 nM I7C C7 H8 F3 N3 O4 S2 c1c(c(cc(c....
252 6RM1 - 45L C8 H10 N2 O Cc1cccc(c1....
253 5TXY Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
254 6YZS Ki = 1296 nM Q3N C7 H12 B10 N O2 S B1234B567B....
255 1AVN Kd = 0.125 mM HSM C5 H9 N3 c1c(nc[nH]....
256 6E8P - HZJ C18 H22 N2 O6 S2 C[C@]12CCc....
257 5EHW Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
258 1LUG - SUA C13 H14 N2 O3 S3 c1cc(ccc1N....
259 5LJQ Ki = 1 nM ANV C15 H16 N4 O3 S c1ccc(cc1)....
260 4E4A ic50 = 9 mM JKE C7 H6 O2 S c1ccc(c(c1....
261 1ZE8 Ki = 21 nM PIU C16 H21 N2 O2 S Cc1cc([n+]....
262 6UGZ - Q71 C7 H5 F N2 O3 S c1cc2c(cc1....
263 6S9Z - L2K C11 H10 F2 N4 c1cc(c(cc1....
264 1BNN Kd = 0.1 nM AL1 C13 H14 N2 O5 S3 COc1cccc(c....
265 6QL3 Kd = 4.5 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
266 4RUX Ki = 12 nM 3W3 C9 H11 N O3 S C=CCOc1ccc....
267 5BNL - 2HC C9 H8 O3 c1ccc(c(c1....
268 1XQ0 Kd = 454 nM 4TR C16 H13 Br N6 O3 S c1cc(ccc1C....
269 2Q1B Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
270 4Q8Y Ki = 2300 uM HQT C9 H7 N O S c1ccc2c(c1....
271 5THN Ki = 96 uM 7CZ C7 H6 O S C1=CC=C(C(....
272 4YXO Kd = 91.4 nM 4JC C8 H11 N O2 S CCc1ccc(cc....
273 5DOG - 5DT C21 H19 F3 N2 O2 S2 c1ccc(cc1)....
274 3BET ic50 = 1.5 uM CTF C21 H28 N2 O4 S C[C@]12CC[....
275 6QFW Kd = 149 nM JR8 C25 H31 Cl Ir N3 O4 S CC12C3([Ir....
276 6GCY Ki = 50 nM 3QR C16 H18 N4 O9 S c1cc2c(cc1....
277 7JNR Ki = 66.5 nM VFG C5 H8 N4 O3 S2 CCC(=O)Nc1....
278 4R59 Ki = 11 nM 3J3 C11 H22 N2 O10 S2 C1CN(CCC1O....
279 5DRS Kd = 1.1 nM 5EF C17 H17 F3 N2 O5 S2 c1ccc2c(c1....
280 5FDC Ki = 34.8 nM 5WN C9 H10 N2 O2 S2 c1ccc2c(c1....
281 1YDA Kd = 280 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
282 5NXI Ki = 217.4 nM 9DE C12 H11 Br N2 O4 S2 c1cc(ccc1N....
283 1CNX Kd = 43 nM EG2 C13 H21 N3 O5 S c1cc(ccc1C....
284 6RMP - 47S C9 H13 N3 O CN(C)c1ccc....
285 5LMD - RC4 C16 H18 B N2 O5 [B-]1(c2cc....
286 4BCW - TU0 C8 H7 Br O4 S c1cc(c(cc1....
287 5AML Ki = 0.7 nM 51J C11 H12 N2 O6 S2 CC#CCNS(=O....
288 4Q7V Ki = 260 uM 5MH C6 H7 N O S CC1=CN(C(=....
289 3RYX Kd = 7.3 nM RYX C10 H9 F5 N2 O3 S c1cc(ccc1C....
290 5EH5 Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
291 1IF9 - SBB C19 H21 N3 O3 S CC[C@H](CN....
292 5FNI Kd = 330 uM YIH C8 H5 Cl2 N4 O c1cc(c(cc1....
293 6RHJ Ki = 2.3 nM K4H C19 H23 N3 O3 S c1ccc(cc1)....
294 4RN4 Ki = 114 nM 3T7 C20 H24 N10 O7 S2 c1ccc(cc1)....
295 2H15 Ki = 2135 nM B19 C12 H22 N2 O7 S CC1(O[C@@H....
296 4Q8Z - 4HO C6 H7 N O2 CC1=CC(=O)....
297 3T82 Ki = 101 nM SG4 C10 H17 N O10 S CC(=O)O[C@....
298 1KWR ic50 = 0.25 uM SG2 C8 H8 N2 O3 S2 CN1c2ccc(c....
299 5THI Ki = 245 uM 0TR C7 H6 O2 C1=CC=C(C(....
300 1OQ5 ic50 = 21 nM CEL C17 H14 F3 N3 O2 S Cc1ccc(cc1....
301 2HL4 Ki = 23 nM BO1 C12 H18 N2 O7 S c1cc(ccc1N....
302 2OSM Ki = 1.05 uM HTS C6 H6 O S c1ccc(c(c1....
303 3P58 Ki = 25.4 nM P58 C9 H11 N S2 CN(Cc1cccc....
304 1G53 Kd = 0.91 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
305 5WG7 - AUD C4 H5 N O4 S CC1=CC(=O)....
306 4MTY - SBW C14 H14 N2 O4 S