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
5NEA 1.3 Å EC: 4.2.1.1 CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX INHIBITOR 4-(2-METHYL-1,3-OXAZOL-5-YL)BENZENE-1-SULFONAMMID HOMO SAPIENS LYASE
Ref.: 1,3-OXAZOLE-BASED SELECTIVE PICOMOLAR INHIBITORS OF CYTOSOLIC HUMAN CARBONIC ANHYDRASE II ALLEVIATE OCU HYPERTENSION IN RABBITS: POTENCY IS SUPPORTED BY X-CRYSTALLOGRAPHY OF TWO LEADS. BIOORG. MED. CHEM. V. 25 4560 2017
Members (465)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 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 1I9L Kd = 3.3 nM INV C14 H13 F N2 O3 S c1cc(ccc1C....
8 6PGX Ki = 0.62 nM OJ4 C18 H24 N2 O8 S2 Te c1cc(ccc1O....
9 3VBD Ki = 8.6 nM 0FZ C16 H16 N2 O3 S COc1ccc2c(....
10 3M5E Kd = 0.043 uM JDR C13 H13 Cl N4 O3 S2 CSc1nc(c(c....
11 6BBS - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
12 6FJJ Ki = 100 nM LSA C7 H5 N O3 S c1ccc2c(c1....
13 3P5A Ki = 0.95 nM IT2 C5 H9 N O S2 C1COCCN1C(....
14 2AW1 Ki = 43 nM COX C16 H14 N2 O3 S Cc1c(c(no1....
15 4M2W - ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
16 5J8Z Ki = 5 nM FC4 C20 H16 Cl N5 O4 S2 C[C@H](C(=....
17 4QTL Kd = 120 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
18 6QFU Kd = 35 nM J0K C24 H29 Cl Ir N3 O4 S CC12C3([Ir....
19 5BYI Ki = 30.7 nM 4WA C12 H12 N4 O2 S c1cc(ccc1N....
20 6G6T Kd = 0.16 nM ENN C11 H14 Cl2 N2 O3 S CCCCNC(=O)....
21 4PYX Kd = 730 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
22 5WLT Ki = 155.5 nM 86B C12 H20 N2 O4 S CC(C)NC[C@....
23 5FLT Kd = 1280 uM VJJ C13 H10 O3 c1ccc(cc1)....
24 4RIV - LSA C7 H5 N O3 S c1ccc2c(c1....
25 5NEA Ki = 0.05 nM 8V8 C10 H10 N2 O3 S Cc1ncc(o1)....
26 5EKM Kd = 0.48 uM TG5 C12 H19 N3 O3 S CCCCNCC(=O....
27 3MHC Ki = 11 nM ARZ C13 H18 N4 O3 S2 C1C2CC3CC1....
28 5NXG Ki = 2.8 nM RA1 C13 H10 Cl N3 O5 S c1cc(ccc1N....
29 5L6K - QUK QVS 6H0 QUJ QVE n/a n/a
30 6B4D Ki = 0.78 uM 53X C15 H15 N3 O2 CCn1cc(c2c....
31 3M96 Kd = 0.06 uM E38 C15 H11 Br Cl N3 O3 S2 c1cc(c(cc1....
32 4ITP Ki = 54 nM 1GD C15 H16 N2 O3 S c1ccc(cc1)....
33 6CJV Ki = 300 nM RRY RRJ n/a n/a
34 2GD8 ic50 = 379 nM PO1 C19 H28 N2 O7 S2 C[C@]12CC[....
35 5G03 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
36 4QSI Kd = 50 nM EWZ C16 H18 Cl N3 O4 S2 CC(C)(C)C1....
37 1BNV Kd = 1.7 nM AL7 C14 H17 N3 O5 S3 CN[C@@H]1C....
38 1I9Q Kd = 3.9 nM IOF C14 H11 F3 N2 O3 S c1cc(ccc1C....
39 6IC2 Ki = 917.4 nM BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
40 2Q1Q Ki = 7 nM OSP C10 H14 N2 O4 S2 c1cc(ccc1N....
41 5LJT Ki = 1.2 nM A6N C15 H16 N4 O3 S c1ccc(cc1)....
42 1G0E - 4MZ C4 H6 N2 Cc1c[nH]cn....
43 4QIY Kd = 50 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
44 2OSF Ki = 148 uM TH0 C6 H6 O2 S c1cc(c(cc1....
45 5BRV Kd = 0.96 nM 9TH C28 H31 Cl Ir N3 O4 S2 C[C-]12C3(....
46 6RW1 Ki = 1305 nM KL5 C15 H16 B N2 O3 S [B-]1(c2cc....
47 6D1L Ki = 7.6 nM FQV C10 H11 N O2 S Se CC#CC[Se]c....
48 5U0E Kd = 7.7 uM 7R4 C10 H9 N O S2 c1ccc(cc1)....
49 4PYY Kd = 59 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
50 1G45 Kd = 2.3 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
51 5FNK Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
52 2NNO Kd = 0.4 uM M28 C9 H11 N O4 S c1cc(ccc1C....
53 4Q81 Ki = 950 uM 7MH C7 H9 N O S CC1=CC(=S)....
54 3CA2 - AMS C6 H7 Hg N2 O2 S c1cc(c(cc1....
55 4Q7P Ki = 48 uM 3MH C6 H7 N O S CC1=CC=CN(....
56 4YYT Kd = 418.3 nM S2O C8 H11 N O3 S c1cc(ccc1C....
57 5E2K Ki = 9.3 nM BX4 C12 H12 N2 O2 S c1cc(cc(c1....
58 3M2N - J74 C12 H12 Cl N5 O4 S c1cc(ccc1C....
59 6H3Q Ki = 47.3 nM FMH C10 H9 Cl N2 O2 S Se c1cc(ccc1c....
60 3OYS Ki = 9 nM OYS C14 H14 N2 O3 S c1ccc(cc1)....
61 6RVK Ki = 439 nM R29 C15 H16 B N2 O4 [B-]1(c2cc....
62 6H29 Ki = 2.4 uM FK8 C8 H9 N O2 c1ccc(cc1)....
63 3RYZ Kd = 2.4 nM RYZ C11 H9 F7 N2 O3 S c1cc(ccc1C....
64 4M2V - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
65 3S8X Kd = 0.07 uM E59 C13 H13 N3 O4 S2 CC1=CC(=O)....
66 5U0G - 7QY C12 H13 N O4 S COc1ccc(c(....
67 3K7K Kd ~ 8.86 nM KCS C H2 S3 C(=S)(S)S
68 3T83 Ki = 105 nM MG5 C15 H25 N O11 S CCC(=O)O[C....
69 3BL1 Ki = 2520 nM BL1 C16 H16 Cl N3 O3 S C[C@H]1Cc2....
70 5EH7 Kd = 330 uM 5O5 C8 H6 Cl2 N4 O c1cc(c(cc1....
71 4RUY Ki = 12.8 nM 3W6 C9 H13 N O3 S CCCOc1ccc(....
72 3MHO Kd = 0.32 uM J43 C12 H11 Cl N4 O3 S2 CSc1nc(c(c....
73 6UGN Ki = 763.5 nM Q77 C9 H10 N2 O3 S Cc1cc(c2c(....
74 4YX4 Kd = 1073.4 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
75 4N16 ic50 = 0.22 mM CHD C24 H40 O5 C[C@H](CCC....
76 3K2F Ki = 63 nM NKX C14 H20 N4 O12 S3 CCN([C@H]1....
77 2WEO Kd = 118 nM FBW C6 H6 F N O2 S c1cc(cc(c1....
78 6UGR Ki = 533.6 nM Q71 C7 H5 F N2 O3 S c1cc2c(cc1....
79 3PO6 - DT9 C12 H18 N2 O4 S C[C@H]1c2c....
80 3V7X Ki = 2.7 nM D7A C17 H20 N2 O5 S COc1ccc(cc....
81 3IBU Ki = 0.7 nM O48 C10 H23 N O3 S CCCCCCCCCC....
82 1BNT Kd = 0.16 nM AL2 C13 H14 N2 O6 S3 COc1ccc(cc....
83 4YXU Kd = 57.4 nM 4JE C9 H13 N O2 S CCCc1ccc(c....
84 4Q09 Kd = 6.7 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
85 5FLS Kd = 905 uM 6ZX C10 H9 Cl O2 C/C(=CC(=O....
86 3DCS Ki = 11.4 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
87 5TYA Kd = 32.9 uM 7QS C9 H7 N O2 S c1ccc(cc1)....
88 3RYV Kd = 86 nM RYV C9 H12 N2 O3 S CCNC(=O)c1....
89 2WEJ Kd = 839 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
90 3MYQ Kd = 0.03 uM E27 C18 H13 Cl N4 O3 S2 c1ccc2c(c1....
91 4ZWZ - 510 C12 H22 N2 O12 S2 COC(=O)[C@....
92 4Q6D Kd = 0.0435 uM WW3 C12 H18 N4 O2 S c1cc(ccc1/....
93 3V5G Ki = 74 nM 0F3 C6 H9 N3 O4 S2 c1cc(ccc1N....
94 1EOU ic50 = 36 nM SMS C9 H15 N O10 S2 CC1(O[C@H]....
95 4RFC Ki = 5.7 nM 3O1 C15 H24 N2 O5 S CC(C)(C)OC....
96 6H33 Ki = 0.6 nM FKQ C18 H20 N2 O4 S c1ccc(cc1)....
97 5VGY Kd = 65.5 uM 9AA C12 H14 N2 O4 S COc1ccc(c(....
98 1BN4 Kd = 0.49 nM AL9 C12 H14 N2 O5 S3 COc1ccc(cc....
99 5NY3 Ki = 33.9 nM 9E8 C15 H16 Cl N3 O3 S c1cc(ccc1C....
100 1G4O Kd = 5.6 nM BSB C14 H14 N2 O3 S c1ccc(cc1)....
101 5SZ3 Ki = 2.5 nM 72H C15 H12 N2 O2 S c1ccc2c(c1....
102 4RUZ - 3W8 C8 H11 N O3 S CCOc1ccc(c....
103 3KIG ic50 = 245 nM DA4 C8 H7 N O2 S C#Cc1cccc(....
104 5SZ5 - 72E C13 H13 N O2 S Cc1ccccc1c....
105 3EFI - TRP C11 H12 N2 O2 c1ccc2c(c1....
106 3N0N Ki = 50 nM P9B C13 H8 F5 N3 O3 S c1cc(ccc1N....
107 4Q06 Kd = 22 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
108 6CEH Ki = 36.5 nM EZ1 C9 H11 N O2 S Se C=CC[Se]c1....
109 2X7T Ki = 232 nM WZB C20 H30 N2 O6 S2 CCc1cc2c(c....
110 4Z1J Ki = 7.7 nM 4KC C16 H16 N2 O3 S c1ccc2c(c1....
111 5U0F Kd = 3.4 uM 7R1 C12 H13 N O3 S2 COc1ccc(c(....
112 6OE0 Ki = 1.2 nM M8S C17 H22 N4 O5 S c1cc(ccc1N....
113 3T5Z Ki = 8.96 uM B09 C7 H9 N O3 S CONS(=O)(=....
114 4FIK - TH0 C6 H6 O2 S c1cc(c(cc1....
115 4E3D ic50 = 5 mM GTQ C7 H6 O4 c1cc(c(cc1....
116 1G46 Kd = 1.6 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
117 5JEP - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
118 3IBL Ki = 14.6 nM O59 C8 H20 N2 O6 S2 C(CCCCOS(=....
119 6UGQ - Q7A C7 H5 Cl N2 O3 S c1cc2c(c(c....
120 5CLU Ki = 78 uM S8A C9 H7 N O5 S c1ccc2c(c1....
121 6RVL Ki = 1148 nM KKE C14 H14 B N2 O3 S [B+]1(c2cc....
122 5FLR Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
123 5EKH Kd = 1.11 uM 5RD C11 H18 N2 O2 S CCCCNCc1cc....
124 5JG5 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
125 6GOT Ki = 0.4 nM F6W C14 H15 N O2 S2 c1ccc(cc1)....
126 5ULN Ki = 14.2 nM 8JS C13 H12 F N3 O2 S2 c1cc(ccc1N....
127 1IF6 - FBU C6 H5 F2 N O2 S c1c(cc(cc1....
128 2O4Z Ki = 566 nM HSW H4 N2 O3 S NS(=O)(=O)....
129 3T84 Ki = 106 nM SG6 C8 H15 N O9 S CC(=O)O[C@....
130 4Q78 - 25X C3 H5 B10 N2 O2 S B1234B567B....
131 5EH8 Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
132 6C7X Ki = 65.2 nM EO7 C10 H13 Cl N6 O6 S c1nc2c(nc(....
133 5JGT - EVI C3 H4 N2 O2 S2 c1csc(n1)S....
134 2WD2 - MS5 C18 H22 N2 O5 S COc1cccc(c....
135 1CRA - TRI C2 H3 N3 c1[nH]cnn1
136 6QL1 Kd = 15 nM V50 C12 H9 F4 N3 O2 S2 Cc1cc(nc(n....
137 6MBY - FER C10 H10 O4 COc1cc(ccc....
138 5W8B - A57 C17 H26 N3 Cc1cc([n+]....
139 4KNJ Kd = 11.1 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
140 1OKM - SAB C11 H17 N3 O3 S c1cc(ccc1C....
141 3RZ5 Kd = 13 nM RZ5 C12 H18 N2 O3 S CCCCCNC(=O....
142 4Q7S Ki = 38 uM 2YU C6 H7 N O S CC1=CC(=S)....
143 3N4B Ki = 96 nM WWZ C13 H12 F N3 O3 S c1cc(ccc1N....
144 3M1K Ki = 4.1 uM BEW C5 H6 N O S c1cc[n+](c....
145 1CIM Ki = 1.52 nM PTS C8 H12 N2 O4 S3 C[C@H]1C[C....
146 4MLT Ki = 1.4 mM TM4 C6 H6 O2 S CC1=C(C(=S....
147 3HKN Ki = 4.51 uM Z3K Z3L n/a n/a
148 4RFD Ki = 8.9 nM 3O5 C10 H16 N2 O3 S c1cc(ccc1O....
149 2GEH Ki = 28 uM NHY C H4 N2 O2 C(=O)(N)NO
150 4ZX1 - 5L3 C13 H24 N2 O11 S2 CC(=O)O[C@....
151 4E49 Ki = 7.7 uM RCO C6 H6 O2 c1cc(cc(c1....
152 6EDA Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
153 3M3X Kd = 0.15 uM JS7 C13 H15 N5 O5 S COc1c(c(nc....
154 6B5A - CQS C15 H17 N7 O3 S c1cc(ccc1C....
155 3B4F Ki = 7.2 nM TUO C15 H14 N4 O3 S c1ccc(cc1)....
156 5SZ0 Ki = 0.8 nM 72D C12 H11 N O2 S c1ccc(cc1)....
157 4E3G Ki = 10.6 uM PHB C7 H6 O3 c1cc(ccc1C....
158 4M2U Ki = 9.1 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
159 6EEO Ki = 0.37 uM J6V C14 H13 F N4 O6 S Cc1cc(ccc1....
160 4MDL Ki = 1.16 uM 25Y C3 H5 B10 N2 O2 S B1234B567B....
161 4R5B Ki = 185 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
162 4Q99 Ki = 0.52 uM HT4 C7 H8 O S Cc1ccc(c(c....
163 5N0E Ki = 3.6 nM 8F3 C22 H20 N2 O5 S c1ccc(cc1)....
164 4Z1E Ki = 5.7 nM DF5 C17 H15 N2 O4 S COc1ccc2c(....
165 5WEX Ki = 66.3 nM 8JS C13 H12 F N3 O2 S2 c1cc(ccc1N....
166 1BNQ Kd = 0.32 nM AL4 C11 H19 N3 O5 S3 CCN[C@H]1C....
167 1XPZ Kd = 84 nM 4TZ C16 H14 N6 O3 S c1cc(ccc1C....
168 6H34 Ki = 0.5 nM FKK C18 H20 F N3 O3 S c1cc(ccc1C....
169 6QL2 Kd = 1.1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
170 4Z1N Ki = 5.89 nM 4KD C18 H20 N2 O5 S COc1cc2c(c....
171 6H2Z Ki = 0.5 nM FKE C18 H20 N2 O3 S c1ccc(cc1)....
172 2NNV Kd = 0.03 uM M29 C11 H15 N O4 S CCOC(=O)CC....
173 4Q8X Ki = 270 uM 7FH C6 H4 F3 N O S C1=CC(=S)N....
174 4KV0 Ki = 12 nM MB7 C13 H14 N4 O5 S2 Cc1ccc(cc1....
175 1G1D Kd = 0.36 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
176 4R5A Ki = 2 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
177 5SZ7 - 72H C15 H12 N2 O2 S c1ccc2c(c1....
178 4PZH Kd < 10 nM V13 C8 H7 F4 N O5 S2 C(CS(=O)(=....
179 4Q07 Kd = 7.3 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
180 3N3J Ki = 3.3 nM WWV C16 H19 N3 O3 S CC(C)c1ccc....
181 3CAJ Ki = 8 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
182 5DOH Kd = 32 nM 5DU C17 H17 F3 N2 O3 S2 c1ccc2c(c1....
183 5TI0 Ki = 61 uM 7CZ C7 H6 O S C1=CC=C(C(....
184 4RIU - 3QR C16 H18 N4 O9 S c1cc2c(cc1....
185 3NI5 Ki = 28 nM C1H C13 H15 N5 O9 S3 c1cc(cc(c1....
186 3SBH Kd = 0.22 uM E65 C14 H15 N3 O3 S2 Cc1cc(nc(n....
187 4QY3 Ki = 0.15 uM 3G1 C14 H12 O3 S c1ccc(cc1)....
188 3D9Z Ki = 2 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
189 5MJN Ki = 2.9 nM 7O8 C11 H10 Cl N O2 S3 c1cc(ccc1C....
190 6QFV Kd = 49 nM J0N C24 H29 Cl Ir N3 O3 S CC12C3([Ir....
191 4HEZ - 1MZ C4 H7 N2 Cn1cc[nH+]....
192 1G52 Kd = 0.29 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
193 5TY8 Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
194 4Q87 Ki = 14 uM 4FH C6 H4 F3 N O S C1=CN(C(=S....
195 1I9O Kd = 3.8 nM IOC C14 H11 F3 N2 O3 S c1cc(ccc1C....
196 5FLQ Kd = 1080 uM IO2 C15 H14 O3 c1ccc(cc1)....
197 1YDD Kd = 86 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
198 2POV Ki = 75 nM I7B C6 H8 Cl N3 O4 S2 c1c(c(cc(c....
199 1G4J Kd = 2 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
200 6E91 Ki = 0.08 uM J04 C20 H23 N2 O7 S COc1cc(cc(....
201 3D8W Ki = 7 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
202 5FNH - YIP C8 H6 Cl N4 O c1cc(cc(c1....
203 2WEH Kd = 1125 nM FB1 C6 H6 Cl N O2 S c1ccc(c(c1....
204 5NXP Ki = 10.2 nM 9DH C15 H17 N3 O3 S CN(CC(=O)N....
205 3M67 Kd = 0.18 uM E36 C17 H14 Cl N3 O5 S2 c1cc(c(cc1....
206 1I9M Kd = 3.3 nM INW C14 H12 F2 N2 O3 S c1cc(ccc1C....
207 5JE7 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
208 2X7S Ki = 1660 nM WZC C19 H27 N O5 S C[C@]12CC[....
209 5BRU - 8TH C30 H35 Cl Ir N3 O4 S2 CCCC12C3([....
210 2FMG - PHE C9 H11 N O2 c1ccc(cc1)....
211 1TTM Kd = 45 nM 667 C14 H15 N O5 S c1cc2c(cc1....
212 5NY6 Ki = 13.5 nM R92 C15 H15 Cl N2 O4 S C[C@@H](c1....
213 3MHM Kd = 0.1 uM J75 C18 H18 N6 O4 S c1ccc(cc1)....
214 2POW Ki = 63 nM I7C C7 H8 F3 N3 O4 S2 c1c(c(cc(c....
215 5TXY Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
216 1AVN Kd = 0.125 mM HSM C5 H9 N3 c1c(nc[nH]....
217 6E8P - HZJ C18 H22 N2 O6 S2 C[C@]12CCc....
218 5EHW Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
219 1LUG - SUA C13 H14 N2 O3 S3 c1cc(ccc1N....
220 5LJQ Ki = 1 nM ANV C15 H16 N4 O3 S c1ccc(cc1)....
221 4E4A IC50 = 9 mM JKE C7 H6 O2 S c1ccc(c(c1....
222 1ZE8 Ki = 21 nM PIU C16 H21 N2 O2 S Cc1cc([n+]....
223 6UGZ - Q71 C7 H5 F N2 O3 S c1cc2c(cc1....
224 1BNN Kd = 0.1 nM AL1 C13 H14 N2 O5 S3 COc1cccc(c....
225 6QL3 Kd = 4.5 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
226 4RUX Ki = 12 nM 3W3 C9 H11 N O3 S C=CCOc1ccc....
227 5BNL - 2HC C9 H8 O3 c1ccc(c(c1....
228 1XQ0 Kd = 454 nM 4TR C16 H13 Br N6 O3 S c1cc(ccc1C....
229 2Q1B Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
230 4Q8Y Ki = 2300 uM HQT C9 H7 N O S c1ccc2c(c1....
231 5THN Ki = 96 uM 7CZ C7 H6 O S C1=CC=C(C(....
232 4YXO Kd = 91.4 nM 4JC C8 H11 N O2 S CCc1ccc(cc....
233 5DOG - 5DT C21 H19 F3 N2 O2 S2 c1ccc(cc1)....
234 3BET ic50 = 1.5 uM CTF C21 H28 N2 O4 S C[C@]12CC[....
235 6QFW Kd = 149 nM JR8 C25 H31 Cl Ir N3 O4 S CC12C3([Ir....
236 6GCY Ki = 50 nM 3QR C16 H18 N4 O9 S c1cc2c(cc1....
237 4R59 Ki = 11 nM 3J3 C11 H22 N2 O10 S2 C1CN(CCC1O....
238 5DRS Kd = 1.1 nM 5EF C17 H17 F3 N2 O5 S2 c1ccc2c(c1....
239 5FDC Ki = 34.8 nM 5WN C9 H10 N2 O2 S2 c1ccc2c(c1....
240 1YDA Kd = 280 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
241 5NXI Ki = 217.4 nM 9DE C12 H11 Br N2 O4 S2 c1cc(ccc1N....
242 1CNX Kd = 43 nM EG2 C13 H21 N3 O5 S c1cc(ccc1C....
243 5LMD - RC4 C16 H18 B N2 O5 [B-]1(c2cc....
244 4BCW - TU0 C8 H7 Br O4 S c1cc(c(cc1....
245 5AML Ki = 0.7 nM 51J C11 H12 N2 O6 S2 CC#CCNS(=O....
246 4Q7V Ki = 260 uM 5MH C6 H7 N O S CC1=CN(C(=....
247 3RYX Kd = 7.3 nM RYX C10 H9 F5 N2 O3 S c1cc(ccc1C....
248 5EH5 Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
249 1IF9 - SBB C19 H21 N3 O3 S CC[C@H](CN....
250 5FNI Kd = 330 uM YIH C8 H5 Cl2 N4 O c1cc(c(cc1....
251 4RN4 Ki = 114 nM 3T7 C20 H24 N10 O7 S2 c1ccc(cc1)....
252 2H15 Ki = 2135 nM B19 C12 H22 N2 O7 S CC1(O[C@@H....
253 4Q8Z - 4HO C6 H7 N O2 CC1=CC(=O)....
254 3T82 Ki = 101 nM SG4 C10 H17 N O10 S CC(=O)O[C@....
255 1KWR ic50 = 0.25 uM SG2 C8 H8 N2 O3 S2 CN1c2ccc(c....
256 5THI Ki = 245 uM 0TR C7 H6 O2 C1=CC=C(C(....
257 1OQ5 ic50 = 21 nM CEL C17 H14 F3 N3 O2 S Cc1ccc(cc1....
258 2HL4 Ki = 23 nM BO1 C12 H18 N2 O7 S c1cc(ccc1N....
259 2OSM Ki = 1.05 uM HTS C6 H6 O S c1ccc(c(c1....
260 3P58 Ki = 25.4 nM P58 C9 H11 N S2 CN(Cc1cccc....
261 1G53 Kd = 0.91 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
262 5WG7 - AUD C4 H5 N O4 S CC1=CC(=O)....
263 4MTY - SBW C14 H14 N2 O4 S c1cc(cc(c1....
264 3BL0 Ki = 121 nM BL0 C5 H10 N4 O2 S2 CN(C)c1nnc....
265 2QOA Ki = 52 nM MAJ C9 H11 N O2 S c1cc2c(cc1....
266 3SAX Kd = 0.14 uM E50 C14 H14 Cl N3 O3 S2 CCc1cnc(nc....
267 4HEY - 4MZ C4 H6 N2 Cc1c[nH]cn....
268 1BCD Kd = 2 nM FMS C H2 F3 N O2 S C(F)(F)(F)....
269 5NEE Ki = 0.02 nM 8V5 C12 H13 N3 O5 S2 c1cc(sc1c2....
270 5E2R Ki = 86.2 nM 520 C19 H16 N2 O3 S c1cc(ccc1c....
271 3RZ7 Kd = 1.1 nM RZ7 C13 H9 F11 N2 O3 S c1cc(ccc1C....
272 3MHL Kd = 0.056 uM J71 C12 H13 N5 O5 S COc1c(c(nc....
273 2FNN Ki = 200 mM 4MZ C4 H6 N2 Cc1c[nH]cn....
274 3P5L Ki = 40.8 nM IT5 C13 H14 N2 S2 c1ccc(cc1)....
275 5E2S Ki = 0.98 nM 5CX C15 H17 N O2 S CC(C)c1ccc....
276 4Q08 Kd = 500 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
277 2WD3 ic50 = 86 nM MS4 C16 H12 Cl N5 O3 S c1cc(c(cc1....
278 6RVF Ki = 730 nM KKH C14 H14 B N2 O4 B1(c2cc(cc....
279 2POU Ki = 38 nM I7A C6 H6 Cl2 N2 O4 S2 c1c(cc(c(c....
280 6G3Q Ki = 57.9 nM FO9 C8 H17 N7 O2 S3 C1C(=NC(=S....
281 6UGO - Q77 C9 H10 N2 O3 S Cc1cc(c2c(....
282 4E3F ic50 = 3 mM GRE C7 H6 O4 c1cc(c(c(c....
283 3NB5 Ki = 18 nM R21 C16 H17 Cl N2 O4 S c1cc(ccc1C....
284 6EBE Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
285 5AMG Ki = 6 nM IW7 C12 H18 N2 O6 S2 CCCCCNS(=O....
286 2HOC Ki = 0.3 nM 1CN C8 H7 Cl F N5 O4 S3 c1c(cc(c(c....
287 1I9N Kd = 2.2 nM IOA C14 H12 F2 N2 O3 S c1cc(ccc1C....
288 3DD8 Ki = 14 nM 2C7 C16 H21 N O5 S2 c1cc2c(cc1....
289 4Q9Y Ki = 2.1 uM M3T C7 H8 S Cc1cccc(c1....
290 5FLP Kd = 631 uM 6J5 C8 H7 Cl N4 O c1ccc(c(c1....
291 2WEG Kd = 314 nM FBV C6 H6 F N O2 S c1ccc(c(c1....
292 3RZ0 Kd = 28 nM RZ0 C11 H16 N2 O3 S CCCCNC(=O)....
293 4ZWY Ki = 10 nM 4SN C19 H32 N2 O14 S2 CC(=O)OC[C....
294 1CNY Kd = 14 nM EG3 C22 H30 N4 O6 S c1ccc(cc1)....
295 3MMF Ki = 37 nM D9H C11 H13 Cl N6 O3 S c1cc(ccc1N....
296 5TFX Ki = 60.9 nM 7B1 C14 H11 N3 O4 S c1ccc(cc1)....
297 4WW6 Kd = 0.062 nM 3TV C9 H9 F4 N O2 S2 CCCSc1c(c(....
298 3SAP Kd = 0.014 uM E2I C16 H19 N3 O3 S2 CCCCc1cnc(....
299 2FOV Kd = 28 nM B30 C13 H15 Cu N3 O7 S c1cc(ccc1C....
300 2X7U Ki = 5340 nM WZA C19 H27 N O5 S C[C@]12CC[....
301 5JEG - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
302 2NNS Kd = 0.9 uM M25 C10 H14 N2 O3 S CC(=O)NCCc....
303 4Q6E Kd = 0.667 uM KR5 C14 H18 N4 O3 S Cc1cc(n(n1....
304 4JSZ Ki = 5000 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
305 5FDI Ki = 18.5 nM 5WM C9 H10 N2 O4 S2 c1ccc2c(c1....
306 5GMN Kd = 18.8 uM 949 C18 H16 F N O4 S CC1(C(=O)C....
307 3FFP Ki = 72.5 nM LC1 C10 H8 N4 O2 S2 c1cc2c(cc1....
308 3R17 Ki = 390 nM 5UM C12 H11 F N2 O3 S2 c1cc(sc1)C....
309 5SZ2 Ki = 2 nM 72G C13 H11 N O3 S c1cc(cc(c1....
310 2HD6 Ki = 16 nM BOS C13 H12 N2 O3 S2 c1ccc(c(c1....
311 2QO8 Ki = 3.4 nM 3CC C17 H26 N2 O3 S CCCC(CCC)C....
312 5FNJ Kd = 5150 uM YI6 C10 H12 O3 CCOc1ccc(c....
313 1I91 ic50 = 1.15 nM INQ C17 H19 N3 O6 S3 c1cc(cc(c1....
314 4YXI Kd = 318.8 nM 4J8 C7 H9 N O2 S Cc1ccc(cc1....
315 1BN1 Kd = 0.46 nM AL5 C12 H14 N2 O4 S3 Cc1ccc(cc1....
316 5JQT Ki = 8180 nM 6M9 C7 H7 B O2 B1(c2ccccc....
317 1G48 Kd = 3.9 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
318 5SZ4 - 72D C12 H11 N O2 S c1ccc(cc1)....
319 1AM6 ic50 = 47 uM HAE C2 H5 N O2 CC(=O)NO
320 1OKL Kd = 0.93 uM MNS C12 H14 N2 O2 S CN(C)c1ccc....
321 3OY0 Ki = 10.1 nM OY0 C15 H24 N2 O3 S CCC[C@H](C....
322 2FOS Kd = 27 nM B17 C17 H23 Cu N3 O9 S c1cc(ccc1C....
323 2EZ7 Kd = 43.5 uM DHI C6 H10 N3 O2 c1c([nH+]c....
324 6HX5 Ki = 2.2 uM GXE C6 H6 Se c1ccc(cc1)....
325 3MZC Ki = 226 nM S6I C12 H17 N3 O3 S c1cc(ccc1N....
326 5A6H Ki = 88 nM OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
327 1IF7 Kd = 30 pM SBR C19 H21 N3 O3 S C[C@H](CNC....
328 3DCW Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
329 5JGS - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
330 3C7P ic50 = 0.1 nM POF C24 H27 N3 O5 S C[C@]12CC[....
331 6MBV - NIO C6 H5 N O2 c1cc(cnc1)....
332 5O07 Ki = 33.8 nM 1VQ C6 H10 N4 O5 S Cc1ncc(n1C....
333 5TH4 - BEW C5 H6 N O S c1cc[n+](c....
334 3DAZ Ki = 11.8 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
335 4PQ7 Ki = 9.5 nM IL3 C11 H14 N2 O3 S CC#CCOc1cc....
336 5L3O - QUJ QUK 6H0 QVS QVE n/a n/a
337 1G54 Kd = 1.5 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
338 4Z1K Ki = 4.7 nM 4KB C16 H16 N2 O5 S c1cc(ccc1C....
339 4JSS Ki = 500 uM BEW C5 H6 N O S c1cc[n+](c....
340 2Q38 Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
341 3HS4 Ki = 10 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
342 4BF6 Ki = 4.5 nM X0Q C13 H9 N5 O2 S2 c1cc(cc(c1....
343 2HKK Ka = 96 M^-1 ALE C9 H13 N O3 CNC[C@@H](....
344 2NNG Kd = 4.4 uM ZYX C8 H12 N2 O2 S c1cc(ccc1C....
345 3F8E Ki = 59 nM TE1 C15 H20 O5 CC(C)C[C@@....
346 5NYA Ki = 415.6 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
347 5FLO Kd = 709 uM J4K C8 H7 Cl N4 O c1cc(ccc1O....
348 3DD0 Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
349 3ML2 Ki = 9.1 nM SU0 C18 H16 N2 O6 S COc1ccc2c(....
350 4M2R Ki = 3.2 nM BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
351 4JSA Ki = 11 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
352 3CYU Kd = 60 nM 0CR C74 H74 N10 O18 S COc1cc2c3c....
353 6EEA Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
354 1IF4 - FBS C6 H6 F N O2 S c1cc(ccc1F....
355 1BNW Kd = 0.83 nM TPD C9 H10 N2 O4 S4 c1cc(sc1)C....
356 2EU3 - FF3 C3 H4 F2 N4 O2 S2 c1(nnc(s1)....
357 2QP6 Ki = 208 nM MB1 C6 H5 Cl N2 O4 S c1cc(c(cc1....
358 5JES - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
359 5JDV - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
360 4MDM Ki = 6.79 uM 26E C3 H5 B9 N2 O2 S B123B45B16....
361 3RZ8 Kd = 6.7 nM RZ8 C13 H20 N2 O3 S CCCCCCNC(=....
362 3EFT Ki = 12 nM 3BS C16 H25 Cl N4 O3 S2 CC1(CC(CC(....
363 5U0D Kd = 28.6 uM 7R7 C11 H11 N O4 S COc1ccc(c(....
364 1CIN Ki = 1.88 nM MTS C9 H14 N2 O4 S3 C[C@H]1C[C....
365 6ECZ Ki = 0.27 uM J4D C13 H6 F5 N4 O8 S c1c(cc(c(c....
366 4MLX Ki = 0.65 mM TM7 C6 H6 O2 S CC1=CC(=S)....
367 2FMZ Ki = 35 nM DPN C9 H11 N O2 c1ccc(cc1)....
368 5SZ6 - 72G C13 H11 N O3 S c1cc(cc(c1....
369 3IEO Ki = 331 nM AMJ C13 H18 N2 O3 CC(=O)N[C@....
370 3F4X Ki = 138 nM KLT C14 H11 Cl N2 O4 S c1ccc2c(c1....
371 3T5U Ki = 5.47 uM A09 C6 H7 N O3 S c1ccc(cc1)....
372 1BNU Kd = 0.2 nM AL3 C11 H12 N2 O5 S4 c1cc(sc1)C....
373 1OKN Kd = 2.3 nM STB C12 H19 N3 O3 S2 c1cc(ccc1C....
374 3DBU Ki = 8.8 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
375 4MO8 Ki = 10.1 nM 2VQ C6 H11 N5 O4 S Cc1ncc(n1C....
376 1I9P Kd = 3.9 nM IOE C14 H11 F3 N2 O3 S c1cc(ccc1C....
377 6B59 Ki = 8.2 nM CQS C15 H17 N7 O3 S c1cc(ccc1C....
378 3N2P Ki = 15 nM AYX C13 H12 N4 O5 S c1cc(cc(c1....
379 4QJM Kd = 6.7 nM V1F C21 H19 F3 N2 O4 S2 c1ccc(cc1)....
380 3M40 Kd = 0.17 uM J45 C10 H8 Cl N5 O4 S c1cc(ccc1N....
381 5TY9 Kd = 6.1 uM 7QV C11 H11 N O5 COc1ccc(c(....
382 5NXV Ki = 3.5 nM 9E2 C12 H12 Cl N5 O5 S Cc1c(c(nn1....
383 5NXO Ki = 4.9 nM 9HK C13 H12 N2 O4 S c1cc(ccc1C....
384 2FOU Kd = 80 nM B22 C21 H22 Cu N4 O8 S c1cc(cc(c1....
385 4QSA Kd = 40 nM EWW C13 H12 Cl N3 O4 S2 CC1=CC(=O)....
386 5FNG Kd = 1105 uM YIE C8 H6 Cl N4 c1cc(ccc1C....
387 6QFX Kd = 20 nM JR3 C24 H28 Cl Ir N4 O5 S CC12C3([Ir....
388 4BF1 Ki = 2.4 nM 9FK C16 H12 N4 O2 S2 c1ccc2c(c1....
389 6C7W Ki = 3410 nM LMS C10 H14 N6 O6 S c1nc(c2c(n....
390 4ZWI - 62I C13 H24 N2 O11 S2 CC(=O)OC[C....
391 1BN3 Kd = 0.13 nM AL6 C13 H12 N2 O5 S3 COc1cccc(c....
392 4Q90 Ki = 7 mM 4H2 C6 H7 N S CC1=CC(=S)....
393 5EHV Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
394 4MDG Ki = 0.7 uM 25X C3 H5 B10 N2 O2 S B1234B567B....
395 5JQ0 - 6M4 C7 H8 B O3 [B-]1(c2cc....
396 3MNU Ki = 48 nM BON C12 H19 B N2 O4 S B1(OC(C(O1....
397 2ABE Ki = 113 uM HIS C6 H10 N3 O2 c1c([nH+]c....
398 4HEW - 2MZ C4 H6 N2 Cc1[nH]ccn....
399 5G01 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
400 3RYY Kd = 38 nM RYY C10 H14 N2 O3 S CCCNC(=O)c....
401 5NXW Ki = 57.4 nM RA9 C10 H11 N5 O3 S3 c1cc(ccc1N....
402 3SBI Kd = 0.017 uM E90 C12 H11 N3 O3 S2 c1cnc(nc1)....
403 5FNL Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
404 3RZ1 Kd = 1.8 nM RZ1 C12 H9 F9 N2 O3 S c1cc(ccc1C....
405 4QSB Kd = 1300 nM EWY C13 H13 N3 O4 S2 CC1=CC(=O)....
406 1YDB Kd = 5.8 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
407 5EKJ Kd = 1 uM TG4 C14 H23 N3 O3 S CCCCNCC(=O....
408 4Q7W Ki = 2300 uM 6MH C6 H7 N O S CC1=CC=CC(....
409 2EU2 - 5DS C5 H11 N5 O2 S2 CN(C)c1nnc....
410 4CQ0 - SXS C7 H6 N2 O3 S c1cc2c(cc1....
411 1MOO - 4MZ C4 H6 N2 Cc1c[nH]cn....
412 3DC3 Ki = 4.9 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
413 3MNA Ki = 41 nM DWH C12 H13 Cl N6 O4 S COC(=O)CNc....
414 6UH0 Ki = 853.1 nM PX7 C8 H8 N2 O3 S CN1c2ccccc....
415 1CNW Kd = 19 nM EG1 C15 H24 N4 O6 S c1cc(ccc1C....
416 6UGP Ki = 685.5 nM Q7A C7 H5 Cl N2 O3 S c1cc2c(c(c....
417 4Z0Q Ki = 6.8 nM 4K9 C16 H16 N2 O3 S c1ccc2c(c1....
418 4LP6 - Q4I C68 H64 N12 O16 S CC(C)COc1c....
419 5THJ Ki = 1350 uM 0TR C7 H6 O2 C1=CC=C(C(....
420 2HNC Ki = 60 nM 1SA C2 H4 N4 O2 S2 c1(nnc(s1)....
421 6OE1 Ki = 3.1 nM M8V C16 H20 N4 O5 S c1cc(ccc1N....
422 3S9T Kd = 0.22 uM E49 C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
423 4ILX Ki = 233 nM 1EZ C18 H24 N2 O3 S c1cc(ccc1N....
424 5AMD Ki = 2.8 nM 45I C15 H16 N2 O6 S2 c1ccc(cc1)....
425 6R6F - EA3 C15 H21 Cl N2 O4 S2 c1c(c(cc(c....
426 3P4V Ki = 8 uM PMX C14 H14 Cl N O6 COC(=O)/C=....
427 3IBI Ki = 2.6 nM BOW C8 H19 N O3 S CCCCCCCCOS....
428 5JEH - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
429 2H4N Kd = 0.002 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
430 6EQU Ki = 419 nM BVE C31 H27 N2 O2 S c1ccc(cc1)....
431 5TY1 Kd = 3.5 uM 7QV C11 H11 N O5 COc1ccc(c(....
432 5FNM Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
433 1ZSB Kd = 250 mM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
434 6E8X Ki = 0.07 uM J0A C19 H22 N2 O7 S2 C[C@]12C=C....
435 3OYQ Ki = 10.3 nM OYQ C13 H20 N2 O3 S CC[C@H](C)....
436 3T85 Ki = 11.3 nM SG7 C10 H17 N O10 S CC(=O)O[C@....
437 1IF5 - FBT C6 H5 F2 N O2 S c1cc(c(c(c....
438 3IBN Ki = 24.5 nM O60 C10 H24 N2 O6 S2 C(CCCCCOS(....
439 4KAP - 1QV C7 H2 F4 N2 O2 S2 c12c(c(c(c....
440 5E28 Ki = 12.3 nM BC5 C12 H12 N2 O2 S c1cc(ccc1c....
441 5WGP - AUD C4 H5 N O4 S CC1=CC(=O)....
442 5LVS - QUJ QUK 6H0 QVS QVE n/a n/a
443 5SZ1 Ki = 1.2 nM 72E C13 H13 N O2 S Cc1ccccc1c....
444 1I90 ic50 = 1.28 nM INM C10 H15 N3 O5 S3 COCCC[N@]1....
445 6D1M Ki = 6.3 nM FQY C12 H17 N O2 S Se c1cc(ccc1S....
446 5NY1 Ki = 366.7 nM 9E5 C19 H20 N2 O4 S Cc1ccc2c(c....
447 4IWZ Ki = 51 nM 1GO C8 H8 N4 O3 S3 c1cc(sc1)C....
448 4E3H Ki = 90 nM HQE C6 H6 O2 c1cc(ccc1O....
449 1I8Z ic50 = 1.27 nM INL C18 H21 N3 O6 S3 COc1cccc(c....
450 6E92 Ki = 0.002 uM HZY C19 H21 N2 O6 S COc1cc(cc(....
451 2F14 Kd = 0.64 nM FL1 C29 H23 N3 O7 S2 c1cc(ccc1C....
452 3R16 Ki = 50 nM 5UN C12 H12 N2 O3 S2 c1cc(sc1)C....
453 6EEH Ki = 0.29 uM J4D C13 H6 F5 N4 O8 S c1c(cc(c(c....
454 1CIL Ki = 0.372 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
455 5WLV Ki = 3 nM 42G C21 H29 N3 O5 S CC(C)NC[C@....
456 4ZX0 - 5L2 C14 H24 N2 O13 S2 CC(=O)OC[C....
457 3MHI Kd = 0.2 uM J90 C11 H11 N5 O5 S c1cc(ccc1C....
458 3DCC Ki = 1.1 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
459 4KNI Kd = 16.7 nM E1E C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
460 3IGP Ki = 32.8 nM DT7 C11 H16 N2 O4 S COc1cc2c(c....
461 3RYJ Kd = 16 nM RYJ C9 H9 F3 N2 O3 S c1cc(ccc1C....
462 2FOQ Kd = 235 nM B15 C20 H21 Cu N3 O7 S c1cc(ccc1C....
463 4ZWX Ki = 2 nM 5KZ C19 H32 N2 O14 S2 CC(=O)OC[C....
464 5N0D Ki = 3.3 nM 8F2 C22 H20 N2 O5 S c1ccc(cc1)....
465 4Q83 Ki = 64 uM 3FH C6 H4 F3 N O S C1=CN(C(=S....
70% Homology Family (498)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 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 1I9L Kd = 3.3 nM INV C14 H13 F N2 O3 S c1cc(ccc1C....
8 6PGX Ki = 0.62 nM OJ4 C18 H24 N2 O8 S2 Te c1cc(ccc1O....
9 3VBD Ki = 8.6 nM 0FZ C16 H16 N2 O3 S COc1ccc2c(....
10 3M5E Kd = 0.043 uM JDR C13 H13 Cl N4 O3 S2 CSc1nc(c(c....
11 6BBS - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
12 6FJJ Ki = 100 nM LSA C7 H5 N O3 S c1ccc2c(c1....
13 3P5A Ki = 0.95 nM IT2 C5 H9 N O S2 C1COCCN1C(....
14 2AW1 Ki = 43 nM COX C16 H14 N2 O3 S Cc1c(c(no1....
15 4M2W - ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
16 5J8Z Ki = 5 nM FC4 C20 H16 Cl N5 O4 S2 C[C@H](C(=....
17 4QTL Kd = 120 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
18 6QFU Kd = 35 nM J0K C24 H29 Cl Ir N3 O4 S CC12C3([Ir....
19 5BYI Ki = 30.7 nM 4WA C12 H12 N4 O2 S c1cc(ccc1N....
20 6G6T Kd = 0.16 nM ENN C11 H14 Cl2 N2 O3 S CCCCNC(=O)....
21 4PYX Kd = 730 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
22 5WLT Ki = 155.5 nM 86B C12 H20 N2 O4 S CC(C)NC[C@....
23 5FLT Kd = 1280 uM VJJ C13 H10 O3 c1ccc(cc1)....
24 4RIV - LSA C7 H5 N O3 S c1ccc2c(c1....
25 5NEA Ki = 0.05 nM 8V8 C10 H10 N2 O3 S Cc1ncc(o1)....
26 5EKM Kd = 0.48 uM TG5 C12 H19 N3 O3 S CCCCNCC(=O....
27 3MHC Ki = 11 nM ARZ C13 H18 N4 O3 S2 C1C2CC3CC1....
28 5NXG Ki = 2.8 nM RA1 C13 H10 Cl N3 O5 S c1cc(ccc1N....
29 5L6K - QUK QVS 6H0 QUJ QVE n/a n/a
30 6B4D Ki = 0.78 uM 53X C15 H15 N3 O2 CCn1cc(c2c....
31 3M96 Kd = 0.06 uM E38 C15 H11 Br Cl N3 O3 S2 c1cc(c(cc1....
32 4ITP Ki = 54 nM 1GD C15 H16 N2 O3 S c1ccc(cc1)....
33 6CJV Ki = 300 nM RRY RRJ n/a n/a
34 2GD8 ic50 = 379 nM PO1 C19 H28 N2 O7 S2 C[C@]12CC[....
35 5G03 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
36 4QSI Kd = 50 nM EWZ C16 H18 Cl N3 O4 S2 CC(C)(C)C1....
37 1BNV Kd = 1.7 nM AL7 C14 H17 N3 O5 S3 CN[C@@H]1C....
38 1I9Q Kd = 3.9 nM IOF C14 H11 F3 N2 O3 S c1cc(ccc1C....
39 6IC2 Ki = 917.4 nM BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
40 2Q1Q Ki = 7 nM OSP C10 H14 N2 O4 S2 c1cc(ccc1N....
41 5LJT Ki = 1.2 nM A6N C15 H16 N4 O3 S c1ccc(cc1)....
42 1G0E - 4MZ C4 H6 N2 Cc1c[nH]cn....
43 4QIY Kd = 50 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
44 2OSF Ki = 148 uM TH0 C6 H6 O2 S c1cc(c(cc1....
45 5BRV Kd = 0.96 nM 9TH C28 H31 Cl Ir N3 O4 S2 C[C-]12C3(....
46 6RW1 Ki = 1305 nM KL5 C15 H16 B N2 O3 S [B-]1(c2cc....
47 6D1L Ki = 7.6 nM FQV C10 H11 N O2 S Se CC#CC[Se]c....
48 5U0E Kd = 7.7 uM 7R4 C10 H9 N O S2 c1ccc(cc1)....
49 4PYY Kd = 59 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
50 1G45 Kd = 2.3 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
51 5FNK Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
52 2NNO Kd = 0.4 uM M28 C9 H11 N O4 S c1cc(ccc1C....
53 4Q81 Ki = 950 uM 7MH C7 H9 N O S CC1=CC(=S)....
54 3CA2 - AMS C6 H7 Hg N2 O2 S c1cc(c(cc1....
55 4Q7P Ki = 48 uM 3MH C6 H7 N O S CC1=CC=CN(....
56 4YYT Kd = 418.3 nM S2O C8 H11 N O3 S c1cc(ccc1C....
57 5E2K Ki = 9.3 nM BX4 C12 H12 N2 O2 S c1cc(cc(c1....
58 3M2N - J74 C12 H12 Cl N5 O4 S c1cc(ccc1C....
59 6H3Q Ki = 47.3 nM FMH C10 H9 Cl N2 O2 S Se c1cc(ccc1c....
60 3OYS Ki = 9 nM OYS C14 H14 N2 O3 S c1ccc(cc1)....
61 6RVK Ki = 439 nM R29 C15 H16 B N2 O4 [B-]1(c2cc....
62 6H29 Ki = 2.4 uM FK8 C8 H9 N O2 c1ccc(cc1)....
63 3RYZ Kd = 2.4 nM RYZ C11 H9 F7 N2 O3 S c1cc(ccc1C....
64 4M2V - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
65 3S8X Kd = 0.07 uM E59 C13 H13 N3 O4 S2 CC1=CC(=O)....
66 5U0G - 7QY C12 H13 N O4 S COc1ccc(c(....
67 3K7K Kd ~ 8.86 nM KCS C H2 S3 C(=S)(S)S
68 3T83 Ki = 105 nM MG5 C15 H25 N O11 S CCC(=O)O[C....
69 3BL1 Ki = 2520 nM BL1 C16 H16 Cl N3 O3 S C[C@H]1Cc2....
70 5EH7 Kd = 330 uM 5O5 C8 H6 Cl2 N4 O c1cc(c(cc1....
71 4RUY Ki = 12.8 nM 3W6 C9 H13 N O3 S CCCOc1ccc(....
72 3MHO Kd = 0.32 uM J43 C12 H11 Cl N4 O3 S2 CSc1nc(c(c....
73 6UGN Ki = 763.5 nM Q77 C9 H10 N2 O3 S Cc1cc(c2c(....
74 4YX4 Kd = 1073.4 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
75 4N16 ic50 = 0.22 mM CHD C24 H40 O5 C[C@H](CCC....
76 3K2F Ki = 63 nM NKX C14 H20 N4 O12 S3 CCN([C@H]1....
77 2WEO Kd = 118 nM FBW C6 H6 F N O2 S c1cc(cc(c1....
78 6UGR Ki = 533.6 nM Q71 C7 H5 F N2 O3 S c1cc2c(cc1....
79 3PO6 - DT9 C12 H18 N2 O4 S C[C@H]1c2c....
80 3V7X Ki = 2.7 nM D7A C17 H20 N2 O5 S COc1ccc(cc....
81 3IBU Ki = 0.7 nM O48 C10 H23 N O3 S CCCCCCCCCC....
82 1BNT Kd = 0.16 nM AL2 C13 H14 N2 O6 S3 COc1ccc(cc....
83 4YXU Kd = 57.4 nM 4JE C9 H13 N O2 S CCCc1ccc(c....
84 4Q09 Kd = 6.7 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
85 5FLS Kd = 905 uM 6ZX C10 H9 Cl O2 C/C(=CC(=O....
86 3DCS Ki = 11.4 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
87 5TYA Kd = 32.9 uM 7QS C9 H7 N O2 S c1ccc(cc1)....
88 3RYV Kd = 86 nM RYV C9 H12 N2 O3 S CCNC(=O)c1....
89 2WEJ Kd = 839 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
90 3MYQ Kd = 0.03 uM E27 C18 H13 Cl N4 O3 S2 c1ccc2c(c1....
91 4ZWZ - 510 C12 H22 N2 O12 S2 COC(=O)[C@....
92 4Q6D Kd = 0.0435 uM WW3 C12 H18 N4 O2 S c1cc(ccc1/....
93 3V5G Ki = 74 nM 0F3 C6 H9 N3 O4 S2 c1cc(ccc1N....
94 1EOU ic50 = 36 nM SMS C9 H15 N O10 S2 CC1(O[C@H]....
95 4RFC Ki = 5.7 nM 3O1 C15 H24 N2 O5 S CC(C)(C)OC....
96 6H33 Ki = 0.6 nM FKQ C18 H20 N2 O4 S c1ccc(cc1)....
97 5VGY Kd = 65.5 uM 9AA C12 H14 N2 O4 S COc1ccc(c(....
98 1BN4 Kd = 0.49 nM AL9 C12 H14 N2 O5 S3 COc1ccc(cc....
99 5NY3 Ki = 33.9 nM 9E8 C15 H16 Cl N3 O3 S c1cc(ccc1C....
100 1G4O Kd = 5.6 nM BSB C14 H14 N2 O3 S c1ccc(cc1)....
101 5SZ3 Ki = 2.5 nM 72H C15 H12 N2 O2 S c1ccc2c(c1....
102 4RUZ - 3W8 C8 H11 N O3 S CCOc1ccc(c....
103 3KIG ic50 = 245 nM DA4 C8 H7 N O2 S C#Cc1cccc(....
104 5SZ5 - 72E C13 H13 N O2 S Cc1ccccc1c....
105 3EFI - TRP C11 H12 N2 O2 c1ccc2c(c1....
106 3N0N Ki = 50 nM P9B C13 H8 F5 N3 O3 S c1cc(ccc1N....
107 4Q06 Kd = 22 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
108 6CEH Ki = 36.5 nM EZ1 C9 H11 N O2 S Se C=CC[Se]c1....
109 2X7T Ki = 232 nM WZB C20 H30 N2 O6 S2 CCc1cc2c(c....
110 4Z1J Ki = 7.7 nM 4KC C16 H16 N2 O3 S c1ccc2c(c1....
111 5U0F Kd = 3.4 uM 7R1 C12 H13 N O3 S2 COc1ccc(c(....
112 6OE0 Ki = 1.2 nM M8S C17 H22 N4 O5 S c1cc(ccc1N....
113 3T5Z Ki = 8.96 uM B09 C7 H9 N O3 S CONS(=O)(=....
114 4FIK - TH0 C6 H6 O2 S c1cc(c(cc1....
115 4E3D ic50 = 5 mM GTQ C7 H6 O4 c1cc(c(cc1....
116 1G46 Kd = 1.6 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
117 5JEP - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
118 3IBL Ki = 14.6 nM O59 C8 H20 N2 O6 S2 C(CCCCOS(=....
119 6UGQ - Q7A C7 H5 Cl N2 O3 S c1cc2c(c(c....
120 5CLU Ki = 78 uM S8A C9 H7 N O5 S c1ccc2c(c1....
121 6RVL Ki = 1148 nM KKE C14 H14 B N2 O3 S [B+]1(c2cc....
122 5FLR Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
123 5EKH Kd = 1.11 uM 5RD C11 H18 N2 O2 S CCCCNCc1cc....
124 5JG5 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
125 6GOT Ki = 0.4 nM F6W C14 H15 N O2 S2 c1ccc(cc1)....
126 5ULN Ki = 14.2 nM 8JS C13 H12 F N3 O2 S2 c1cc(ccc1N....
127 1IF6 - FBU C6 H5 F2 N O2 S c1c(cc(cc1....
128 2O4Z Ki = 566 nM HSW H4 N2 O3 S NS(=O)(=O)....
129 3T84 Ki = 106 nM SG6 C8 H15 N O9 S CC(=O)O[C@....
130 4Q78 - 25X C3 H5 B10 N2 O2 S B1234B567B....
131 5EH8 Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
132 6C7X Ki = 65.2 nM EO7 C10 H13 Cl N6 O6 S c1nc2c(nc(....
133 5JGT - EVI C3 H4 N2 O2 S2 c1csc(n1)S....
134 2WD2 - MS5 C18 H22 N2 O5 S COc1cccc(c....
135 1CRA - TRI C2 H3 N3 c1[nH]cnn1
136 6QL1 Kd = 15 nM V50 C12 H9 F4 N3 O2 S2 Cc1cc(nc(n....
137 6MBY - FER C10 H10 O4 COc1cc(ccc....
138 5W8B - A57 C17 H26 N3 Cc1cc([n+]....
139 4KNJ Kd = 11.1 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
140 1OKM - SAB C11 H17 N3 O3 S c1cc(ccc1C....
141 3RZ5 Kd = 13 nM RZ5 C12 H18 N2 O3 S CCCCCNC(=O....
142 4Q7S Ki = 38 uM 2YU C6 H7 N O S CC1=CC(=S)....
143 3N4B Ki = 96 nM WWZ C13 H12 F N3 O3 S c1cc(ccc1N....
144 3M1K Ki = 4.1 uM BEW C5 H6 N O S c1cc[n+](c....
145 1CIM Ki = 1.52 nM PTS C8 H12 N2 O4 S3 C[C@H]1C[C....
146 4MLT Ki = 1.4 mM TM4 C6 H6 O2 S CC1=C(C(=S....
147 3HKN Ki = 4.51 uM Z3K Z3L n/a n/a
148 4RFD Ki = 8.9 nM 3O5 C10 H16 N2 O3 S c1cc(ccc1O....
149 2GEH Ki = 28 uM NHY C H4 N2 O2 C(=O)(N)NO
150 4ZX1 - 5L3 C13 H24 N2 O11 S2 CC(=O)O[C@....
151 4E49 Ki = 7.7 uM RCO C6 H6 O2 c1cc(cc(c1....
152 6EDA Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
153 3M3X Kd = 0.15 uM JS7 C13 H15 N5 O5 S COc1c(c(nc....
154 6B5A - CQS C15 H17 N7 O3 S c1cc(ccc1C....
155 3B4F Ki = 7.2 nM TUO C15 H14 N4 O3 S c1ccc(cc1)....
156 5SZ0 Ki = 0.8 nM 72D C12 H11 N O2 S c1ccc(cc1)....
157 4E3G Ki = 10.6 uM PHB C7 H6 O3 c1cc(ccc1C....
158 4M2U Ki = 9.1 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
159 6EEO Ki = 0.37 uM J6V C14 H13 F N4 O6 S Cc1cc(ccc1....
160 4MDL Ki = 1.16 uM 25Y C3 H5 B10 N2 O2 S B1234B567B....
161 4R5B Ki = 185 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
162 4Q99 Ki = 0.52 uM HT4 C7 H8 O S Cc1ccc(c(c....
163 5N0E Ki = 3.6 nM 8F3 C22 H20 N2 O5 S c1ccc(cc1)....
164 4Z1E Ki = 5.7 nM DF5 C17 H15 N2 O4 S COc1ccc2c(....
165 5WEX Ki = 66.3 nM 8JS C13 H12 F N3 O2 S2 c1cc(ccc1N....
166 1BNQ Kd = 0.32 nM AL4 C11 H19 N3 O5 S3 CCN[C@H]1C....
167 1XPZ Kd = 84 nM 4TZ C16 H14 N6 O3 S c1cc(ccc1C....
168 6H34 Ki = 0.5 nM FKK C18 H20 F N3 O3 S c1cc(ccc1C....
169 6QL2 Kd = 1.1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
170 4Z1N Ki = 5.89 nM 4KD C18 H20 N2 O5 S COc1cc2c(c....
171 6H2Z Ki = 0.5 nM FKE C18 H20 N2 O3 S c1ccc(cc1)....
172 2NNV Kd = 0.03 uM M29 C11 H15 N O4 S CCOC(=O)CC....
173 4Q8X Ki = 270 uM 7FH C6 H4 F3 N O S C1=CC(=S)N....
174 4KV0 Ki = 12 nM MB7 C13 H14 N4 O5 S2 Cc1ccc(cc1....
175 1G1D Kd = 0.36 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
176 4R5A Ki = 2 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
177 5SZ7 - 72H C15 H12 N2 O2 S c1ccc2c(c1....
178 4PZH Kd < 10 nM V13 C8 H7 F4 N O5 S2 C(CS(=O)(=....
179 4Q07 Kd = 7.3 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
180 3N3J Ki = 3.3 nM WWV C16 H19 N3 O3 S CC(C)c1ccc....
181 3CAJ Ki = 8 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
182 5DOH Kd = 32 nM 5DU C17 H17 F3 N2 O3 S2 c1ccc2c(c1....
183 5TI0 Ki = 61 uM 7CZ C7 H6 O S C1=CC=C(C(....
184 4RIU - 3QR C16 H18 N4 O9 S c1cc2c(cc1....
185 3NI5 Ki = 28 nM C1H C13 H15 N5 O9 S3 c1cc(cc(c1....
186 3SBH Kd = 0.22 uM E65 C14 H15 N3 O3 S2 Cc1cc(nc(n....
187 4QY3 Ki = 0.15 uM 3G1 C14 H12 O3 S c1ccc(cc1)....
188 3D9Z Ki = 2 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
189 5MJN Ki = 2.9 nM 7O8 C11 H10 Cl N O2 S3 c1cc(ccc1C....
190 6QFV Kd = 49 nM J0N C24 H29 Cl Ir N3 O3 S CC12C3([Ir....
191 4HEZ - 1MZ C4 H7 N2 Cn1cc[nH+]....
192 1G52 Kd = 0.29 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
193 5TY8 Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
194 4Q87 Ki = 14 uM 4FH C6 H4 F3 N O S C1=CN(C(=S....
195 1I9O Kd = 3.8 nM IOC C14 H11 F3 N2 O3 S c1cc(ccc1C....
196 5FLQ Kd = 1080 uM IO2 C15 H14 O3 c1ccc(cc1)....
197 1YDD Kd = 86 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
198 2POV Ki = 75 nM I7B C6 H8 Cl N3 O4 S2 c1c(c(cc(c....
199 1G4J Kd = 2 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
200 6E91 Ki = 0.08 uM J04 C20 H23 N2 O7 S COc1cc(cc(....
201 3D8W Ki = 7 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
202 5FNH - YIP C8 H6 Cl N4 O c1cc(cc(c1....
203 2WEH Kd = 1125 nM FB1 C6 H6 Cl N O2 S c1ccc(c(c1....
204 5NXP Ki = 10.2 nM 9DH C15 H17 N3 O3 S CN(CC(=O)N....
205 3M67 Kd = 0.18 uM E36 C17 H14 Cl N3 O5 S2 c1cc(c(cc1....
206 1I9M Kd = 3.3 nM INW C14 H12 F2 N2 O3 S c1cc(ccc1C....
207 5JE7 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
208 2X7S Ki = 1660 nM WZC C19 H27 N O5 S C[C@]12CC[....
209 5BRU - 8TH C30 H35 Cl Ir N3 O4 S2 CCCC12C3([....
210 2FMG - PHE C9 H11 N O2 c1ccc(cc1)....
211 1TTM Kd = 45 nM 667 C14 H15 N O5 S c1cc2c(cc1....
212 5NY6 Ki = 13.5 nM R92 C15 H15 Cl N2 O4 S C[C@@H](c1....
213 3MHM Kd = 0.1 uM J75 C18 H18 N6 O4 S c1ccc(cc1)....
214 2POW Ki = 63 nM I7C C7 H8 F3 N3 O4 S2 c1c(c(cc(c....
215 5TXY Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
216 1AVN Kd = 0.125 mM HSM C5 H9 N3 c1c(nc[nH]....
217 6E8P - HZJ C18 H22 N2 O6 S2 C[C@]12CCc....
218 5EHW Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
219 1LUG - SUA C13 H14 N2 O3 S3 c1cc(ccc1N....
220 5LJQ Ki = 1 nM ANV C15 H16 N4 O3 S c1ccc(cc1)....
221 4E4A IC50 = 9 mM JKE C7 H6 O2 S c1ccc(c(c1....
222 1ZE8 Ki = 21 nM PIU C16 H21 N2 O2 S Cc1cc([n+]....
223 6UGZ - Q71 C7 H5 F N2 O3 S c1cc2c(cc1....
224 1BNN Kd = 0.1 nM AL1 C13 H14 N2 O5 S3 COc1cccc(c....
225 6QL3 Kd = 4.5 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
226 4RUX Ki = 12 nM 3W3 C9 H11 N O3 S C=CCOc1ccc....
227 5BNL - 2HC C9 H8 O3 c1ccc(c(c1....
228 1XQ0 Kd = 454 nM 4TR C16 H13 Br N6 O3 S c1cc(ccc1C....
229 2Q1B Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
230 4Q8Y Ki = 2300 uM HQT C9 H7 N O S c1ccc2c(c1....
231 5THN Ki = 96 uM 7CZ C7 H6 O S C1=CC=C(C(....
232 4YXO Kd = 91.4 nM 4JC C8 H11 N O2 S CCc1ccc(cc....
233 5DOG - 5DT C21 H19 F3 N2 O2 S2 c1ccc(cc1)....
234 3BET ic50 = 1.5 uM CTF C21 H28 N2 O4 S C[C@]12CC[....
235 6QFW Kd = 149 nM JR8 C25 H31 Cl Ir N3 O4 S CC12C3([Ir....
236 6GCY Ki = 50 nM 3QR C16 H18 N4 O9 S c1cc2c(cc1....
237 4R59 Ki = 11 nM 3J3 C11 H22 N2 O10 S2 C1CN(CCC1O....
238 5DRS Kd = 1.1 nM 5EF C17 H17 F3 N2 O5 S2 c1ccc2c(c1....
239 5FDC Ki = 34.8 nM 5WN C9 H10 N2 O2 S2 c1ccc2c(c1....
240 1YDA Kd = 280 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
241 5NXI Ki = 217.4 nM 9DE C12 H11 Br N2 O4 S2 c1cc(ccc1N....
242 1CNX Kd = 43 nM EG2 C13 H21 N3 O5 S c1cc(ccc1C....
243 5LMD - RC4 C16 H18 B N2 O5 [B-]1(c2cc....
244 4BCW - TU0 C8 H7 Br O4 S c1cc(c(cc1....
245 5AML Ki = 0.7 nM 51J C11 H12 N2 O6 S2 CC#CCNS(=O....
246 4Q7V Ki = 260 uM 5MH C6 H7 N O S CC1=CN(C(=....
247 3RYX Kd = 7.3 nM RYX C10 H9 F5 N2 O3 S c1cc(ccc1C....
248 5EH5 Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
249 1IF9 - SBB C19 H21 N3 O3 S CC[C@H](CN....
250 5FNI Kd = 330 uM YIH C8 H5 Cl2 N4 O c1cc(c(cc1....
251 4RN4 Ki = 114 nM 3T7 C20 H24 N10 O7 S2 c1ccc(cc1)....
252 2H15 Ki = 2135 nM B19 C12 H22 N2 O7 S CC1(O[C@@H....
253 4Q8Z - 4HO C6 H7 N O2 CC1=CC(=O)....
254 3T82 Ki = 101 nM SG4 C10 H17 N O10 S CC(=O)O[C@....
255 1KWR ic50 = 0.25 uM SG2 C8 H8 N2 O3 S2 CN1c2ccc(c....
256 5THI Ki = 245 uM 0TR C7 H6 O2 C1=CC=C(C(....
257 1OQ5 ic50 = 21 nM CEL C17 H14 F3 N3 O2 S Cc1ccc(cc1....
258 2HL4 Ki = 23 nM BO1 C12 H18 N2 O7 S c1cc(ccc1N....
259 2OSM Ki = 1.05 uM HTS C6 H6 O S c1ccc(c(c1....
260 3P58 Ki = 25.4 nM P58 C9 H11 N S2 CN(Cc1cccc....
261 1G53 Kd = 0.91 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
262 5WG7 - AUD C4 H5 N O4 S CC1=CC(=O)....
263 4MTY - SBW C14 H14 N2 O4 S c1cc(cc(c1....
264 3BL0 Ki = 121 nM BL0 C5 H10 N4 O2 S2 CN(C)c1nnc....
265 2QOA Ki = 52 nM MAJ C9 H11 N O2 S c1cc2c(cc1....
266 3SAX Kd = 0.14 uM E50 C14 H14 Cl N3 O3 S2 CCc1cnc(nc....
267 4HEY - 4MZ C4 H6 N2 Cc1c[nH]cn....
268 1BCD Kd = 2 nM FMS C H2 F3 N O2 S C(F)(F)(F)....
269 5NEE Ki = 0.02 nM 8V5 C12 H13 N3 O5 S2 c1cc(sc1c2....
270 5E2R Ki = 86.2 nM 520 C19 H16 N2 O3 S c1cc(ccc1c....
271 3RZ7 Kd = 1.1 nM RZ7 C13 H9 F11 N2 O3 S c1cc(ccc1C....
272 3MHL Kd = 0.056 uM J71 C12 H13 N5 O5 S COc1c(c(nc....
273 2FNN Ki = 200 mM 4MZ C4 H6 N2 Cc1c[nH]cn....
274 3P5L Ki = 40.8 nM IT5 C13 H14 N2 S2 c1ccc(cc1)....
275 5E2S Ki = 0.98 nM 5CX C15 H17 N O2 S CC(C)c1ccc....
276 4Q08 Kd = 500 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
277 2WD3 ic50 = 86 nM MS4 C16 H12 Cl N5 O3 S c1cc(c(cc1....
278 6RVF Ki = 730 nM KKH C14 H14 B N2 O4 B1(c2cc(cc....
279 2POU Ki = 38 nM I7A C6 H6 Cl2 N2 O4 S2 c1c(cc(c(c....
280 6G3Q Ki = 57.9 nM FO9 C8 H17 N7 O2 S3 C1C(=NC(=S....
281 6UGO - Q77 C9 H10 N2 O3 S Cc1cc(c2c(....
282 4E3F ic50 = 3 mM GRE C7 H6 O4 c1cc(c(c(c....
283 3NB5 Ki = 18 nM R21 C16 H17 Cl N2 O4 S c1cc(ccc1C....
284 6EBE Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
285 5AMG Ki = 6 nM IW7 C12 H18 N2 O6 S2 CCCCCNS(=O....
286 2HOC Ki = 0.3 nM 1CN C8 H7 Cl F N5 O4 S3 c1c(cc(c(c....
287 1I9N Kd = 2.2 nM IOA C14 H12 F2 N2 O3 S c1cc(ccc1C....
288 3DD8 Ki = 14 nM 2C7 C16 H21 N O5 S2 c1cc2c(cc1....
289 4Q9Y Ki = 2.1 uM M3T C7 H8 S Cc1cccc(c1....
290 5FLP Kd = 631 uM 6J5 C8 H7 Cl N4 O c1ccc(c(c1....
291 2WEG Kd = 314 nM FBV C6 H6 F N O2 S c1ccc(c(c1....
292 3RZ0 Kd = 28 nM RZ0 C11 H16 N2 O3 S CCCCNC(=O)....
293 4ZWY Ki = 10 nM 4SN C19 H32 N2 O14 S2 CC(=O)OC[C....
294 1CNY Kd = 14 nM EG3 C22 H30 N4 O6 S c1ccc(cc1)....
295 3MMF Ki = 37 nM D9H C11 H13 Cl N6 O3 S c1cc(ccc1N....
296 5TFX Ki = 60.9 nM 7B1 C14 H11 N3 O4 S c1ccc(cc1)....
297 4WW6 Kd = 0.062 nM 3TV C9 H9 F4 N O2 S2 CCCSc1c(c(....
298 3SAP Kd = 0.014 uM E2I C16 H19 N3 O3 S2 CCCCc1cnc(....
299 2FOV Kd = 28 nM B30 C13 H15 Cu N3 O7 S c1cc(ccc1C....
300 2X7U Ki = 5340 nM WZA C19 H27 N O5 S C[C@]12CC[....
301 5JEG - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
302 2NNS Kd = 0.9 uM M25 C10 H14 N2 O3 S CC(=O)NCCc....
303 4Q6E Kd = 0.667 uM KR5 C14 H18 N4 O3 S Cc1cc(n(n1....
304 4JSZ Ki = 5000 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
305 5FDI Ki = 18.5 nM 5WM C9 H10 N2 O4 S2 c1ccc2c(c1....
306 5GMN Kd = 18.8 uM 949 C18 H16 F N O4 S CC1(C(=O)C....
307 3FFP Ki = 72.5 nM LC1 C10 H8 N4 O2 S2 c1cc2c(cc1....
308 3R17 Ki = 390 nM 5UM C12 H11 F N2 O3 S2 c1cc(sc1)C....
309 5SZ2 Ki = 2 nM 72G C13 H11 N O3 S c1cc(cc(c1....
310 2HD6 Ki = 16 nM BOS C13 H12 N2 O3 S2 c1ccc(c(c1....
311 2QO8 Ki = 3.4 nM 3CC C17 H26 N2 O3 S CCCC(CCC)C....
312 5FNJ Kd = 5150 uM YI6 C10 H12 O3 CCOc1ccc(c....
313 1I91 ic50 = 1.15 nM INQ C17 H19 N3 O6 S3 c1cc(cc(c1....
314 4YXI Kd = 318.8 nM 4J8 C7 H9 N O2 S Cc1ccc(cc1....
315 1BN1 Kd = 0.46 nM AL5 C12 H14 N2 O4 S3 Cc1ccc(cc1....
316 5JQT Ki = 8180 nM 6M9 C7 H7 B O2 B1(c2ccccc....
317 1G48 Kd = 3.9 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
318 5SZ4 - 72D C12 H11 N O2 S c1ccc(cc1)....
319 1AM6 ic50 = 47 uM HAE C2 H5 N O2 CC(=O)NO
320 1OKL Kd = 0.93 uM MNS C12 H14 N2 O2 S CN(C)c1ccc....
321 3OY0 Ki = 10.1 nM OY0 C15 H24 N2 O3 S CCC[C@H](C....
322 2FOS Kd = 27 nM B17 C17 H23 Cu N3 O9 S c1cc(ccc1C....
323 2EZ7 Kd = 43.5 uM DHI C6 H10 N3 O2 c1c([nH+]c....
324 6HX5 Ki = 2.2 uM GXE C6 H6 Se c1ccc(cc1)....
325 3MZC Ki = 226 nM S6I C12 H17 N3 O3 S c1cc(ccc1N....
326 5A6H Ki = 88 nM OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
327 1IF7 Kd = 30 pM SBR C19 H21 N3 O3 S C[C@H](CNC....
328 3DCW Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
329 5JGS - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
330 3C7P ic50 = 0.1 nM POF C24 H27 N3 O5 S C[C@]12CC[....
331 6MBV - NIO C6 H5 N O2 c1cc(cnc1)....
332 5O07 Ki = 33.8 nM 1VQ C6 H10 N4 O5 S Cc1ncc(n1C....
333 5TH4 - BEW C5 H6 N O S c1cc[n+](c....
334 3DAZ Ki = 11.8 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
335 4PQ7 Ki = 9.5 nM IL3 C11 H14 N2 O3 S CC#CCOc1cc....
336 5L3O - QUJ QUK 6H0 QVS QVE n/a n/a
337 1G54 Kd = 1.5 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
338 4Z1K Ki = 4.7 nM 4KB C16 H16 N2 O5 S c1cc(ccc1C....
339 4JSS Ki = 500 uM BEW C5 H6 N O S c1cc[n+](c....
340 2Q38 Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
341 3HS4 Ki = 10 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
342 4BF6 Ki = 4.5 nM X0Q C13 H9 N5 O2 S2 c1cc(cc(c1....
343 2HKK Ka = 96 M^-1 ALE C9 H13 N O3 CNC[C@@H](....
344 2NNG Kd = 4.4 uM ZYX C8 H12 N2 O2 S c1cc(ccc1C....
345 3F8E Ki = 59 nM TE1 C15 H20 O5 CC(C)C[C@@....
346 5NYA Ki = 415.6 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
347 5FLO Kd = 709 uM J4K C8 H7 Cl N4 O c1cc(ccc1O....
348 3DD0 Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
349 3ML2 Ki = 9.1 nM SU0 C18 H16 N2 O6 S COc1ccc2c(....
350 4M2R Ki = 3.2 nM BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
351 4JSA Ki = 11 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
352 3CYU Kd = 60 nM 0CR C74 H74 N10 O18 S COc1cc2c3c....
353 6EEA Ki = 0.2 uM J3V C14 H11 F3 N4 O6 S c1cc(ccc1C....
354 1IF4 - FBS C6 H6 F N O2 S c1cc(ccc1F....
355 1BNW Kd = 0.83 nM TPD C9 H10 N2 O4 S4 c1cc(sc1)C....
356 2EU3 - FF3 C3 H4 F2 N4 O2 S2 c1(nnc(s1)....
357 2QP6 Ki = 208 nM MB1 C6 H5 Cl N2 O4 S c1cc(c(cc1....
358 5JES - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
359 5JDV - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
360 4MDM Ki = 6.79 uM 26E C3 H5 B9 N2 O2 S B123B45B16....
361 3RZ8 Kd = 6.7 nM RZ8 C13 H20 N2 O3 S CCCCCCNC(=....
362 3EFT Ki = 12 nM 3BS C16 H25 Cl N4 O3 S2 CC1(CC(CC(....
363 5U0D Kd = 28.6 uM 7R7 C11 H11 N O4 S COc1ccc(c(....
364 1CIN Ki = 1.88 nM MTS C9 H14 N2 O4 S3 C[C@H]1C[C....
365 6ECZ Ki = 0.27 uM J4D C13 H6 F5 N4 O8 S c1c(cc(c(c....
366 4MLX Ki = 0.65 mM TM7 C6 H6 O2 S CC1=CC(=S)....
367 2FMZ Ki = 35 nM DPN C9 H11 N O2 c1ccc(cc1)....
368 5SZ6 - 72G C13 H11 N O3 S c1cc(cc(c1....
369 3IEO Ki = 331 nM AMJ C13 H18 N2 O3 CC(=O)N[C@....
370 3F4X Ki = 138 nM KLT C14 H11 Cl N2 O4 S c1ccc2c(c1....
371 3T5U Ki = 5.47 uM A09 C6 H7 N O3 S c1ccc(cc1)....
372 1BNU Kd = 0.2 nM AL3 C11 H12 N2 O5 S4 c1cc(sc1)C....
373 1OKN Kd = 2.3 nM STB C12 H19 N3 O3 S2 c1cc(ccc1C....
374 3DBU Ki = 8.8 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
375 4MO8 Ki = 10.1 nM 2VQ C6 H11 N5 O4 S Cc1ncc(n1C....
376 1I9P Kd = 3.9 nM IOE C14 H11 F3 N2 O3 S c1cc(ccc1C....
377 6B59 Ki = 8.2 nM CQS C15 H17 N7 O3 S c1cc(ccc1C....
378 3N2P Ki = 15 nM AYX C13 H12 N4 O5 S c1cc(cc(c1....
379 4QJM Kd = 6.7 nM V1F C21 H19 F3 N2 O4 S2 c1ccc(cc1)....
380 3M40 Kd = 0.17 uM J45 C10 H8 Cl N5 O4 S c1cc(ccc1N....
381 5TY9 Kd = 6.1 uM 7QV C11 H11 N O5 COc1ccc(c(....
382 5NXV Ki = 3.5 nM 9E2 C12 H12 Cl N5 O5 S Cc1c(c(nn1....
383 5NXO Ki = 4.9 nM 9HK C13 H12 N2 O4 S c1cc(ccc1C....
384 2FOU Kd = 80 nM B22 C21 H22 Cu N4 O8 S c1cc(cc(c1....
385 4QSA Kd = 40 nM EWW C13 H12 Cl N3 O4 S2 CC1=CC(=O)....
386 5FNG Kd = 1105 uM YIE C8 H6 Cl N4 c1cc(ccc1C....
387 6QFX Kd = 20 nM JR3 C24 H28 Cl Ir N4 O5 S CC12C3([Ir....
388 4BF1 Ki = 2.4 nM 9FK C16 H12 N4 O2 S2 c1ccc2c(c1....
389 6C7W Ki = 3410 nM LMS C10 H14 N6 O6 S c1nc(c2c(n....
390 4ZWI - 62I C13 H24 N2 O11 S2 CC(=O)OC[C....
391 1BN3 Kd = 0.13 nM AL6 C13 H12 N2 O5 S3 COc1cccc(c....
392 4Q90 Ki = 7 mM 4H2 C6 H7 N S CC1=CC(=S)....
393 5EHV Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
394 4MDG Ki = 0.7 uM 25X C3 H5 B10 N2 O2 S B1234B567B....