Receptor
PDB id Resolution Class Description Source Keywords
6OE1 1.45 Å EC: 4.2.1.1 BENZENSULFONAMIDES BEARING SPYROHYDANTOIN MOIETIES ACT AS PO INHIBITORS OF HUMAN CARBONIC ANHYDRASES II AND VII AND SHOWN EUROPATHIC PAIN ATTENUATING EFFECTS HOMO SAPIENS CARBONIC ANHYDRASE INHIBITORS METALLOENZYMES ORGANOSELENIULYASE INHIBITOR COMPLEX
Ref.: BENZENSULFONAMIDES BEARING SPYROHYDANTOIN MOIETIES POTENT INHIBITORS OF HUMAN CARBONIC ANHYDRASES II A AND SHOW NEUROPATHIC PAIN ATTENUATING EFFECTS. EUR.J.MED.CHEM. V. 177 188 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M8V A:303;
Valid;
none;
Ki = 3.1 nM
380.419 C16 H20 N4 O5 S c1cc(...
ZN A:301;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
SO4 A:304;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
GOL A:302;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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..