Receptor
PDB id Resolution Class Description Source Keywords
4Q78 1 Å EC: 4.2.1.1 STRUCTURE-ASSISTED DESIGN OF CARBORANE-BASED INHIBITORS OF C ANHYDRASE HOMO SAPIENS CARBONIC ANHYDRASE LYASE-LYASE INHIBITOR COMPLEX
Ref.: CARBORANE-BASED CARBONIC ANHYDRASE INHIBITORS: INSI CAII/CAIX SPECIFICITY FROM A HIGH-RESOLUTION CRYSTA STRUCTURE, MODELING, AND QUANTUM CHEMICAL CALCULATI BIOMED RES INT V.2014 89869 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
25X A:302;
Valid;
none;
submit data
241.259 C3 H5 B10 N2 O2 S B1234...
MBO A:303;
Invalid;
none;
submit data
321.703 C7 H5 Hg O2 c1cc(...
ZN A:301;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
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 = 910 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 = 0.005 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 = 3 nM RA1 C13 H10 Cl N3 O5 S c1cc(ccc1N....
29 5L6K - QUK QVS 6H0 QUJ QVE n/a n/a
30 6B4D Kd = 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 G2Y C12 H19 Cl3 O8 C([C@@H]1[....
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 ic50 ~ 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 = 29 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 = 428.6 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 = 1135.3 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 = 60.6 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 = 34 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 = 15 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 Kd = 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 Ki = 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 MFS C26 H37 N O19 S CC(=O)OC[C....
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 = 0.21 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 = 8 mM 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 = 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 = 14.2 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 Kd = 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 < 5 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 = 0.033 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 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 = 14 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 Ki = 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 = 125.4 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 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 = 307 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 ic50 = 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 Ki = 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 = 331.7 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 = 416 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 = 0.21 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 = 58.9 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 Kd = 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 = 4 nM 9E2 C12 H12 Cl N5 O5 S Cc1c(c(nn1....
383 5NXO Ki = 5 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 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 Ki = 2 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 = 367 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 Ki = 45 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 ic50 = 94.5 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 = 910 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 = 0.005 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 = 3 nM RA1 C13 H10 Cl N3 O5 S c1cc(ccc1N....
29 5L6K - QUK QVS 6H0 QUJ QVE n/a n/a
30 6B4D Kd = 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 G2Y C12 H19 Cl3 O8 C([C@@H]1[....
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 ic50 ~ 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 = 29 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 = 428.6 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 = 1135.3 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 = 60.6 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 = 34 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 = 15 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 Kd = 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 Ki = 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 MFS C26 H37 N O19 S CC(=O)OC[C....
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 = 0.21 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 = 8 mM 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 = 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 = 14.2 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 Kd = 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 < 5 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 = 0.033 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 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 = 14 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 Ki = 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 = 125.4 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 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 = 307 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 ic50 = 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 Ki = 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 = 331.7 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 = 416 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 = 0.21 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 = 58.9 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 Kd = 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 = 4 nM 9E2 C12 H12 Cl N5 O5 S Cc1c(c(nn1....
383 5NXO Ki = 5 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....