Receptor
PDB id Resolution Class Description Source Keywords
5E2M 1.41 Å EC: 4.2.1.1 CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE ISOZYME I WITH (CYCLOOCTYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL) S ULFONYL]BENZENESULFONAMIDE HOMO SAPIENS DRUG DESIGN CARBONIC ANHYDRASE BENZENESULFONAMIDE METAL-BLYASE-LYASE INHIBITOR COMPLEX LYASE
Ref.: INTRINSIC THERMODYNAMICS AND STRUCTURES OF 2,4- AND 3,4-SUBSTITUTED FLUORINATED BENZENESULFONAMIDES BIN CARBONIC ANHYDRASES. CHEMMEDCHEM V. 12 161 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG B:303;
B:304;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
ACT A:303;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
V14 B:302;
A:302;
Valid;
Valid;
none;
Atoms found MORE than expected: % Diff = 2;
Kd = 59 nM
444.489 C16 H23 F3 N2 O5 S2 C1CCC...
ZN A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WUP 1.75 Å EC: 4.2.1.1 CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE ISOZYME I WITH HYDROXYETHYL)THIO]BENZENESULFONAMIDE HOMO SAPIENS DRUG DESIGN LYASE BENZENESULFONAMIDE METAL-BINDING LYASEINHIBITOR COMPLEX
Ref.: INTRINSIC THERMODYNAMICS OF 4-SUBSTITUTED-2,3,5,6-TETRAFLUOROBENZENESULFONAMIDE TO CARBONIC ANHYDRASES BY ISOTHERMAL TITRATION CALO BIOPHYS.CHEM. V. 205 51 2015
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2NMX Kd = 2.7 uM M25 C10 H14 N2 O3 S CC(=O)NCCc....
2 1BZM - MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
3 2FW4 Kd = 30 nM HIS C6 H10 N3 O2 c1c([nH+]c....
4 3LXE Ki = 250 nM TOR C12 H21 N O8 S CC1(O[C@@H....
5 2IT4 Ki = 24.1 mM PPF C H3 O5 P C(=O)(O)P(....
6 2NN7 Kd = 0.3 uM M29 C11 H15 N O4 S CCOC(=O)CC....
7 5E2M Kd = 59 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
8 4WR7 Kd = 0.002 uM 3TV C9 H9 F4 N O2 S2 CCCSc1c(c(....
9 4WUQ - 3UG C11 H12 F4 N2 O2 S C1CCN(CC1)....
10 1CZM - AAS C8 H10 Hg N2 O4 S CC(=O)O[Hg....
11 2NN1 Kd = 1.5 uM M28 C9 H11 N O4 S c1cc(ccc1C....
12 4WUP Kd = 0.15 nM 3UF C8 H11 N O3 S2 c1cc(ccc1S....
13 2FOY Kd = 120 nM B30 C13 H15 Cu N3 O7 S c1cc(ccc1C....
14 5GMM Kd = 29.1 uM 949 C18 H16 F N O4 S CC1(C(=O)C....
15 1AZM - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
70% Homology Family (412)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 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 1I9L Kd = 3.3 nM INV C14 H13 F N2 O3 S c1cc(ccc1C....
7 3VBD Ki = 8.6 nM 0FZ C16 H16 N2 O3 S COc1ccc2c(....
8 3M5E Kd = 0.043 uM JDR C13 H13 Cl N4 O3 S2 CSc1nc(c(c....
9 3P5A Ki = 0.95 nM IT2 C5 H9 N O S2 C1COCCN1C(....
10 2AW1 Ki = 43 nM COX C16 H14 N2 O3 S Cc1c(c(no1....
11 4M2W - ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
12 5J8Z Ki = 5 nM FC4 C20 H16 Cl N5 O4 S2 C[C@H](C(=....
13 4QTL Kd = 120 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
14 5BYI Ki = 30.7 nM 4WA C12 H12 N4 O2 S c1cc(ccc1N....
15 4PYX Kd = 910 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
16 5FLT Kd = 1280 uM VJJ C13 H10 O3 c1ccc(cc1)....
17 4RIV - LSA C7 H5 N O3 S c1ccc2c(c1....
18 5EKM Kd = 0.48 uM TG5 C12 H19 N3 O3 S CCCCNCC(=O....
19 3MHC Ki = 11 nM ARZ C13 H18 N4 O3 S2 C1C2CC3CC1....
20 5L6K - QUK QVS 6H0 QUJ QVE n/a n/a
21 3M96 Kd = 0.06 uM E38 C15 H11 Br Cl N3 O3 S2 c1cc(c(cc1....
22 4ITP Ki = 54 nM 1GD C15 H16 N2 O3 S c1ccc(cc1)....
23 2GD8 ic50 = 379 nM PO1 C19 H28 N2 O7 S2 C[C@]12CC[....
24 5G03 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
25 4QSI Kd = 50 nM EWZ C16 H18 Cl N3 O4 S2 CC(C)(C)C1....
26 1BNV Kd = 1.7 nM AL7 C14 H17 N3 O5 S3 CN[C@@H]1C....
27 1I9Q Kd = 3.9 nM IOF C14 H11 F3 N2 O3 S c1cc(ccc1C....
28 2Q1Q Ki = 7 nM OSP C10 H14 N2 O4 S2 c1cc(ccc1N....
29 5LJT Ki = 1.2 nM A6N C15 H16 N4 O3 S c1ccc(cc1)....
30 1G0E - 4MZ C4 H6 N2 Cc1c[nH]cn....
31 4QIY Kd = 50 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
32 2OSF ic50 ~ 148 uM TH0 C6 H6 O2 S c1cc(c(cc1....
33 5BRV Kd = 0.96 nM 9TH C28 H31 Cl Ir N3 O4 S2 C[C-]12C3(....
34 5U0E Kd = 7.7 uM 7R4 C10 H9 N O S2 c1ccc(cc1)....
35 4PYY Kd = 29 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
36 1G45 Kd = 2.3 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
37 5FNK Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
38 2NNO Kd = 0.4 uM M28 C9 H11 N O4 S c1cc(ccc1C....
39 4Q81 Ki = 950 uM 7MH C7 H9 N O S CC1=CC(=S)....
40 3CA2 - AMS C6 H7 Hg N2 O2 S c1cc(c(cc1....
41 4Q7P Ki = 48 uM 3MH C6 H7 N O S CC1=CC=CN(....
42 4YYT Kd = 428.6 nM S2O C8 H11 N O3 S c1cc(ccc1C....
43 5E2K Ki = 9.3 nM BX4 C12 H12 N2 O2 S c1cc(cc(c1....
44 3M2N - J74 C12 H12 Cl N5 O4 S c1cc(ccc1C....
45 3OYS Ki = 9 nM OYS C14 H14 N2 O3 S c1ccc(cc1)....
46 3RYZ Kd = 2.4 nM RYZ C11 H9 F7 N2 O3 S c1cc(ccc1C....
47 4M2V - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
48 3S8X Kd = 0.07 uM E59 C13 H13 N3 O4 S2 CC1=CC(=O)....
49 5U0G - 7QY C12 H13 N O4 S COc1ccc(c(....
50 3K7K Kd ~ 8.86 nM KCS C H2 S3 C(=S)(S)S
51 3T83 Ki = 105 nM MG5 C15 H25 N O11 S CCC(=O)O[C....
52 3BL1 Ki = 2520 nM BL1 C16 H16 Cl N3 O3 S C[C@H]1Cc2....
53 5EH7 Kd = 330 uM 5O5 C8 H6 Cl2 N4 O c1cc(c(cc1....
54 4RUY Ki = 12.8 nM 3W6 C9 H13 N O3 S CCCOc1ccc(....
55 3MHO Kd = 0.32 uM J43 C12 H11 Cl N4 O3 S2 CSc1nc(c(c....
56 4YX4 Kd = 1135.3 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
57 4N16 ic50 = 0.22 mM CHD C24 H40 O5 C[C@H](CCC....
58 3K2F Ki = 63 nM NKX C14 H20 N4 O12 S3 CCN([C@H]1....
59 2WEO Kd = 118 nM FBW C6 H6 F N O2 S c1cc(cc(c1....
60 3PO6 - DT9 C12 H18 N2 O4 S C[C@H]1c2c....
61 3V7X Ki = 2.7 nM D7A C17 H20 N2 O5 S COc1ccc(cc....
62 3IBU Ki = 0.7 nM O48 C10 H23 N O3 S CCCCCCCCCC....
63 1BNT Kd = 0.16 nM AL2 C13 H14 N2 O6 S3 COc1ccc(cc....
64 4YXU Kd = 60.6 nM 4JE C9 H13 N O2 S CCCc1ccc(c....
65 4Q09 Kd = 6.7 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
66 5FLS Kd = 905 uM 6ZX C10 H9 Cl O2 C/C(=CC(=O....
67 3DCS Ki = 11.4 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
68 5TYA Kd = 32.9 uM 7QS C9 H7 N O2 S c1ccc(cc1)....
69 3RYV Kd = 86 nM RYV C9 H12 N2 O3 S CCNC(=O)c1....
70 2WEJ Kd = 839 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
71 3MYQ Kd = 0.03 uM E27 C18 H13 Cl N4 O3 S2 c1ccc2c(c1....
72 4ZWZ - 510 C12 H22 N2 O12 S2 COC(=O)[C@....
73 4Q6D Kd = 0.0435 uM WW3 C12 H18 N4 O2 S c1cc(ccc1/....
74 3V5G Ki = 74 nM 0F3 C6 H9 N3 O4 S2 c1cc(ccc1N....
75 1EOU ic50 = 36 nM SMS C9 H15 N O10 S2 CC1(O[C@H]....
76 4RFC Ki = 5.7 nM 3O1 C15 H24 N2 O5 S CC(C)(C)OC....
77 5VGY Kd = 65.5 uM 9AA C12 H14 N2 O4 S COc1ccc(c(....
78 1BN4 Kd = 0.49 nM AL9 C12 H14 N2 O5 S3 COc1ccc(cc....
79 1G4O Kd = 5.6 nM BSB C14 H14 N2 O3 S c1ccc(cc1)....
80 5SZ3 Ki = 2.5 nM 72H C15 H12 N2 O2 S c1ccc2c(c1....
81 4RUZ - 3W8 C8 H11 N O3 S CCOc1ccc(c....
82 3KIG ic50 = 245 nM DA4 C8 H7 N O2 S C#Cc1cccc(....
83 5SZ5 - 72E C13 H13 N O2 S Cc1ccccc1c....
84 3EFI - TRP C11 H12 N2 O2 c1ccc2c(c1....
85 3N0N Ki = 50 nM P9B C13 H8 F5 N3 O3 S c1cc(ccc1N....
86 4Q06 Kd = 15 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
87 2X7T Ki = 232 nM WZB C20 H30 N2 O6 S2 CCc1cc2c(c....
88 4Z1J Kd = 7.7 nM 4KC C16 H16 N2 O3 S c1ccc2c(c1....
89 5U0F Kd = 3.4 uM 7R1 C12 H13 N O3 S2 COc1ccc(c(....
90 3T5Z Ki = 8.96 uM B09 C7 H9 N O3 S CONS(=O)(=....
91 4FIK - TH0 C6 H6 O2 S c1cc(c(cc1....
92 4E3D Ki = 5 mM GTQ C7 H6 O4 c1cc(c(cc1....
93 1G46 Kd = 1.6 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
94 5JEP - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
95 3IBL Ki = 14.6 nM O59 C8 H20 N2 O6 S2 C(CCCCOS(=....
96 5CLU Ki = 78 uM S8A C9 H7 N O5 S c1ccc2c(c1....
97 5FLR Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
98 5EKH Kd = 1.11 uM 5RD C11 H18 N2 O2 S CCCCNCc1cc....
99 5JG5 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
100 1IF6 - FBU C6 H5 F2 N O2 S c1c(cc(cc1....
101 2O4Z Ki = 566 nM HSW H4 N2 O3 S NS(=O)(=O)....
102 3T84 Ki = 106 nM SG6 C8 H15 N O9 S CC(=O)O[C@....
103 4Q78 - 25X C3 H5 B10 N2 O2 S B1234B567B....
104 5EH8 Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
105 5JGT - EVI C3 H4 N2 O2 S2 c1csc(n1)S....
106 2WD2 - MS5 C18 H22 N2 O5 S COc1cccc(c....
107 1CRA - TRI C2 H3 N3 c1[nH]cnn1
108 4KNJ Kd = 11.1 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
109 1OKM - SAB C11 H17 N3 O3 S c1cc(ccc1C....
110 3RZ5 Kd = 13 nM RZ5 C12 H18 N2 O3 S CCCCCNC(=O....
111 4Q7S Ki = 38 uM 2YU C6 H7 N O S CC1=CC(=S)....
112 3N4B Ki = 96 nM WWZ C13 H12 F N3 O3 S c1cc(ccc1N....
113 3M1K Ki = 4.1 uM BEW C5 H6 N O S c1cc[n+](c....
114 1CIM Ki = 1.52 nM PTS C8 H12 N2 O4 S3 C[C@H]1C[C....
115 4MLT Ki = 1.4 mM TM4 C6 H6 O2 S CC1=C(C(=S....
116 3HKN Ki = 4.51 uM MFS C26 H37 N O19 S CC(=O)OC[C....
117 4RFD Ki = 8.9 nM 3O5 C10 H16 N2 O3 S c1cc(ccc1O....
118 2GEH Ki = 28 uM NHY C H4 N2 O2 C(=O)(N)NO
119 4ZX1 - 5L3 C13 H24 N2 O11 S2 CC(=O)O[C@....
120 4E49 Ki = 7.7 uM RCO C6 H6 O2 c1cc(cc(c1....
121 3M3X Kd = 0.15 uM JS7 C13 H15 N5 O5 S COc1c(c(nc....
122 3B4F Ki = 7.2 nM TUO C15 H14 N4 O3 S c1ccc(cc1)....
123 5SZ0 Ki = 0.8 nM 72D C12 H11 N O2 S c1ccc(cc1)....
124 4E3G Ki = 8 mM PHB C7 H6 O3 c1cc(ccc1C....
125 4M2U Ki = 9.1 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
126 4MDL Ki = 1.16 uM 25Y C3 H5 B10 N2 O2 S B1234B567B....
127 4R5B Ki = 185 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
128 4Q99 Ki = 52 uM HT4 C7 H8 O S Cc1ccc(c(c....
129 5N0E Ki = 3.6 nM 8F3 C22 H20 N2 O5 S c1ccc(cc1)....
130 4Z1E Ki = 5.7 nM DF5 C17 H15 N2 O4 S COc1ccc2c(....
131 1BNQ Kd = 0.32 nM AL4 C11 H19 N3 O5 S3 CCN[C@H]1C....
132 1XPZ Kd = 84 nM 4TZ C16 H14 N6 O3 S c1cc(ccc1C....
133 4Z1N Ki = 5.89 nM 4KD C18 H20 N2 O5 S COc1cc2c(c....
134 2NNV Kd = 0.03 uM M29 C11 H15 N O4 S CCOC(=O)CC....
135 4Q8X Ki = 270 uM 7FH C6 H4 F3 N O S C1=CC(=S)N....
136 4KV0 Ki = 12 nM MB7 C13 H14 N4 O5 S2 Cc1ccc(cc1....
137 1G1D Kd = 0.36 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
138 4R5A Ki = 2 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
139 5SZ7 - 72H C15 H12 N2 O2 S c1ccc2c(c1....
140 4PZH Kd < 10 nM V13 C8 H7 F4 N O5 S2 C(CS(=O)(=....
141 4Q07 Kd < 5 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
142 3N3J Ki = 3.3 nM WWV C16 H19 N3 O3 S CC(C)c1ccc....
143 3CAJ Ki = 8 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
144 5DOH Kd = 32 nM 5DU C17 H17 F3 N2 O3 S2 c1ccc2c(c1....
145 5TI0 Ki = 61 uM 7CZ C7 H6 O S C1=CC=C(C(....
146 4RIU - 3QR C16 H18 N4 O9 S c1cc2c(cc1....
147 3NI5 Ki = 28 nM C1H C13 H15 N5 O9 S3 c1cc(cc(c1....
148 3SBH Kd = 0.033 uM E65 C14 H15 N3 O3 S2 Cc1cc(nc(n....
149 4QY3 Ki = 0.15 uM 3G1 C14 H12 O3 S c1ccc(cc1)....
150 3D9Z Ki = 2 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
151 4HEZ - 1MZ C4 H7 N2 Cn1cc[nH+]....
152 1G52 Kd = 0.29 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
153 5TY8 Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
154 4Q87 Ki = 14 uM 4FH C6 H4 F3 N O S C1=CN(C(=S....
155 1I9O Kd = 3.8 nM IOC C14 H11 F3 N2 O3 S c1cc(ccc1C....
156 5FLQ Kd = 1080 uM IO2 C15 H14 O3 c1ccc(cc1)....
157 1YDD Kd = 86 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
158 2POV Ki = 75 nM I7B C6 H8 Cl N3 O4 S2 c1c(c(cc(c....
159 1G4J Kd = 2 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
160 3D8W Ki = 7 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
161 5FNH - YIP C8 H6 Cl N4 O c1cc(cc(c1....
162 2WEH Kd = 1125 nM FB1 C6 H6 Cl N O2 S c1ccc(c(c1....
163 3M67 Kd = 0.18 uM E36 C17 H14 Cl N3 O5 S2 c1cc(c(cc1....
164 1I9M Kd = 3.3 nM INW C14 H12 F2 N2 O3 S c1cc(ccc1C....
165 5JE7 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
166 2X7S Ki = 1660 nM WZC C19 H27 N O5 S C[C@]12CC[....
167 5BRU - 8TH C30 H35 Cl Ir N3 O4 S2 CCCC12C3([....
168 2FMG - PHE C9 H11 N O2 c1ccc(cc1)....
169 1TTM Kd ~ 45 nM 667 C14 H15 N O5 S c1cc2c(cc1....
170 3MHM Kd = 0.1 uM J75 C18 H18 N6 O4 S c1ccc(cc1)....
171 2POW Ki = 63 nM I7C C7 H8 F3 N3 O4 S2 c1c(c(cc(c....
172 5TXY Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
173 1AVN Kd = 0.125 mM HSM C5 H9 N3 c1c(nc[nH]....
174 5EHW Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
175 1LUG - SUA C13 H14 N2 O3 S3 c1cc(ccc1N....
176 5LJQ Ki = 1 nM ANV C15 H16 N4 O3 S c1ccc(cc1)....
177 4E4A Ki = 9 mM JKE C7 H6 O2 S c1ccc(c(c1....
178 1ZE8 Ki = 21 nM PIU C16 H21 N2 O2 S Cc1cc([n+]....
179 1BNN Kd = 0.1 nM AL1 C13 H14 N2 O5 S3 COc1cccc(c....
180 4RUX Ki = 12 nM 3W3 C9 H11 N O3 S C=CCOc1ccc....
181 5BNL - 2HC C9 H8 O3 c1ccc(c(c1....
182 1XQ0 Kd = 454 nM 4TR C16 H13 Br N6 O3 S c1cc(ccc1C....
183 2Q1B Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
184 4Q8Y Ki = 2300 uM HQT C9 H7 N O S c1ccc2c(c1....
185 5THN Ki = 96 uM 7CZ C7 H6 O S C1=CC=C(C(....
186 4YXO Kd = 125.4 nM 4JC C8 H11 N O2 S CCc1ccc(cc....
187 5DOG - 5DT C21 H19 F3 N2 O2 S2 c1ccc(cc1)....
188 3BET ic50 = 1.5 uM CTF C21 H28 N2 O4 S C[C@]12CC[....
189 4R59 Ki = 11 nM 3J3 C11 H22 N2 O10 S2 C1CN(CCC1O....
190 5DRS Kd = 1.1 nM 5EF C17 H17 F3 N2 O5 S2 c1ccc2c(c1....
191 5FDC Ki = 34.8 nM 5WN C9 H10 N2 O2 S2 c1ccc2c(c1....
192 1YDA Kd = 280 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
193 1CNX Kd = 43 nM EG2 C13 H21 N3 O5 S c1cc(ccc1C....
194 5LMD - RC4 C16 H18 B N2 O5 [B-]1(c2cc....
195 4BCW - TU0 C8 H7 Br O4 S c1cc(c(cc1....
196 5AML Ki = 0.7 nM 51J C11 H12 N2 O6 S2 CC#CCNS(=O....
197 4Q7V Ki = 260 uM 5MH C6 H7 N O S CC1=CN(C(=....
198 3RYX Kd = 7.3 nM RYX C10 H9 F5 N2 O3 S c1cc(ccc1C....
199 5EH5 Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
200 1IF9 - SBB C19 H21 N3 O3 S CC[C@H](CN....
201 5FNI Kd = 330 uM YIH C8 H5 Cl2 N4 O c1cc(c(cc1....
202 4RN4 Ki = 114 nM 3T7 C20 H24 N10 O7 S2 c1ccc(cc1)....
203 2H15 Ki = 2135 nM B19 C12 H22 N2 O7 S CC1(O[C@@H....
204 4Q8Z - 4HO C6 H7 N O2 CC1=CC(=O)....
205 3T82 Ki = 307 nM SG4 C10 H17 N O10 S CC(=O)O[C@....
206 1KWR ic50 = 0.25 uM SG2 C8 H8 N2 O3 S2 CN1c2ccc(c....
207 5THI Ki = 245 uM 0TR C7 H6 O2 C1=CC=C(C(....
208 1OQ5 ic50 = 21 nM CEL C17 H14 F3 N3 O2 S Cc1ccc(cc1....
209 2HL4 Ki = 23 nM BO1 C12 H18 N2 O7 S c1cc(ccc1N....
210 2OSM ic50 = 1.05 uM HTS C6 H6 O S c1ccc(c(c1....
211 3P58 Ki = 25.4 nM P58 C9 H11 N S2 CN(Cc1cccc....
212 1G53 Kd = 0.91 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
213 4MTY - SBW C14 H14 N2 O4 S c1cc(cc(c1....
214 3BL0 Ki = 121 nM BL0 C5 H10 N4 O2 S2 CN(C)c1nnc....
215 2QOA Ki = 52 nM MAJ C9 H11 N O2 S c1cc2c(cc1....
216 3SAX Kd = 0.14 uM E50 C14 H14 Cl N3 O3 S2 CCc1cnc(nc....
217 4HEY - 4MZ C4 H6 N2 Cc1c[nH]cn....
218 1BCD Kd = 2 nM FMS C H2 F3 N O2 S C(F)(F)(F)....
219 5E2R Ki = 86.2 nM 520 C19 H16 N2 O3 S c1cc(ccc1c....
220 3RZ7 Kd = 1.1 nM RZ7 C13 H9 F11 N2 O3 S c1cc(ccc1C....
221 3MHL Kd = 0.056 uM J71 C12 H13 N5 O5 S COc1c(c(nc....
222 2FNN Ki = 200 mM 4MZ C4 H6 N2 Cc1c[nH]cn....
223 3P5L Ki = 40.8 nM IT5 C13 H14 N2 S2 c1ccc(cc1)....
224 5E2S Ki = 0.98 nM 5CX C15 H17 N O2 S CC(C)c1ccc....
225 4Q08 Kd = 500 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
226 2WD3 ic50 = 86 nM MS4 C16 H12 Cl N5 O3 S c1cc(c(cc1....
227 2POU Ki = 38 nM I7A C6 H6 Cl2 N2 O4 S2 c1c(cc(c(c....
228 4E3F Ki = 3 mM GRE C7 H6 O4 c1cc(c(c(c....
229 3NB5 Ki = 18 nM R21 C16 H17 Cl N2 O4 S c1cc(ccc1C....
230 5AMG Ki = 6 nM IW7 C12 H18 N2 O6 S2 CCCCCNS(=O....
231 2HOC Ki = 0.3 nM 1CN C8 H7 Cl F N5 O4 S3 c1c(cc(c(c....
232 1I9N Kd = 2.2 nM IOA C14 H12 F2 N2 O3 S c1cc(ccc1C....
233 3DD8 Ki = 14 nM 2C7 C16 H21 N O5 S2 c1cc2c(cc1....
234 4Q9Y Ki = 2.1 uM M3T C7 H8 S Cc1cccc(c1....
235 5FLP Kd = 631 uM 6J5 C8 H7 Cl N4 O c1ccc(c(c1....
236 2WEG Kd = 314 nM FBV C6 H6 F N O2 S c1ccc(c(c1....
237 3RZ0 Kd = 28 nM RZ0 C11 H16 N2 O3 S CCCCNC(=O)....
238 4ZWY Ki = 10 nM 4SN C19 H32 N2 O14 S2 CC(=O)OC[C....
239 1CNY Kd = 14 nM EG3 C22 H30 N4 O6 S c1ccc(cc1)....
240 3MMF Ki = 37 nM D9H C11 H13 Cl N6 O3 S c1cc(ccc1N....
241 5TFX Ki = 60.9 nM 7B1 C14 H11 N3 O4 S c1ccc(cc1)....
242 4WW6 Kd = 0.062 nM 3TV C9 H9 F4 N O2 S2 CCCSc1c(c(....
243 3SAP Kd = 0.014 uM E2I C16 H19 N3 O3 S2 CCCCc1cnc(....
244 2FOV Kd = 28 nM B30 C13 H15 Cu N3 O7 S c1cc(ccc1C....
245 2X7U Ki = 5340 nM WZA C19 H27 N O5 S C[C@]12CC[....
246 5JEG - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
247 2NNS Kd = 0.9 uM M25 C10 H14 N2 O3 S CC(=O)NCCc....
248 4Q6E Kd = 0.667 uM KR5 C14 H18 N4 O3 S Cc1cc(n(n1....
249 4JSZ Ki = 5000 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
250 5FDI Ki = 18.5 nM 5WM C9 H10 N2 O4 S2 c1ccc2c(c1....
251 5GMN Kd = 18.8 uM 949 C18 H16 F N O4 S CC1(C(=O)C....
252 3FFP Ki = 72.5 nM LC1 C10 H8 N4 O2 S2 c1cc2c(cc1....
253 3R17 Ki = 390 nM 5UM C12 H11 F N2 O3 S2 c1cc(sc1)C....
254 5SZ2 Ki = 2 nM 72G C13 H11 N O3 S c1cc(cc(c1....
255 2HD6 Ki = 16 nM BOS C13 H12 N2 O3 S2 c1ccc(c(c1....
256 2QO8 Ki = 3.4 nM 3CC C17 H26 N2 O3 S CCCC(CCC)C....
257 5FNJ Kd = 5150 uM YI6 C10 H12 O3 CCOc1ccc(c....
258 1I91 ic50 = 1.15 nM INQ C17 H19 N3 O6 S3 c1cc(cc(c1....
259 4YXI Kd = 331.7 nM 4J8 C7 H9 N O2 S Cc1ccc(cc1....
260 1BN1 Kd = 0.46 nM AL5 C12 H14 N2 O4 S3 Cc1ccc(cc1....
261 5JQT Ki = 8180 nM 6M9 C7 H7 B O2 B1(c2ccccc....
262 1G48 Kd = 3.9 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
263 5SZ4 - 72D C12 H11 N O2 S c1ccc(cc1)....
264 1AM6 ic50 = 47 uM HAE C2 H5 N O2 CC(=O)NO
265 1OKL Kd = 0.93 uM MNS C12 H14 N2 O2 S CN(C)c1ccc....
266 3OY0 Ki = 10.1 nM OY0 C15 H24 N2 O3 S CCC[C@H](C....
267 2FOS Kd = 27 nM B17 C17 H23 Cu N3 O9 S c1cc(ccc1C....
268 2EZ7 Kd = 43.5 uM DHI C6 H10 N3 O2 c1c([nH+]c....
269 3MZC Ki = 226 nM S6I C12 H17 N3 O3 S c1cc(ccc1N....
270 5A6H Ki = 88 nM OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
271 1IF7 Kd = 30 pM SBR C19 H21 N3 O3 S C[C@H](CNC....
272 3DCW Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
273 5JGS - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
274 3C7P ic50 = 0.1 nM POF C24 H27 N3 O5 S C[C@]12CC[....
275 5O07 Ki = 33.8 nM 1VQ C6 H10 N4 O5 S Cc1ncc(n1C....
276 5TH4 - BEW C5 H6 N O S c1cc[n+](c....
277 3DAZ Ki = 11.8 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
278 4PQ7 Ki = 9.5 nM IL3 C11 H14 N2 O3 S CC#CCOc1cc....
279 5L3O - QUJ QUK 6H0 QVS QVE n/a n/a
280 1G54 Kd = 1.5 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
281 4Z1K Ki = 4.7 nM 4KB C16 H16 N2 O5 S c1cc(ccc1C....
282 4JSS Ki = 500 uM BEW C5 H6 N O S c1cc[n+](c....
283 2Q38 Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
284 3HS4 Ki = 10 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
285 4BF6 Ki = 4.5 nM X0Q C13 H9 N5 O2 S2 c1cc(cc(c1....
286 2HKK Ka = 96 M^-1 ALE C9 H13 N O3 CNC[C@@H](....
287 2NNG Kd = 4.4 uM ZYX C8 H12 N2 O2 S c1cc(ccc1C....
288 3F8E Ki = 59 nM TE1 C15 H20 O5 CC(C)C[C@@....
289 5FLO Kd = 709 uM J4K C8 H7 Cl N4 O c1cc(ccc1O....
290 3DD0 Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
291 3ML2 Ki = 9.1 nM SU0 C18 H16 N2 O6 S COc1ccc2c(....
292 4M2R Ki = 3.2 nM BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
293 4JSA Ki = 11 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
294 3CYU Kd = 60 nM 0CR C74 H74 N10 O18 S COc1cc2c3c....
295 1IF4 - FBS C6 H6 F N O2 S c1cc(ccc1F....
296 1BNW Kd = 0.83 nM TPD C9 H10 N2 O4 S4 c1cc(sc1)C....
297 2EU3 - FF3 C3 H4 F2 N4 O2 S2 c1(nnc(s1)....
298 2QP6 Ki = 58.9 nM MB1 C6 H5 Cl N2 O4 S c1cc(c(cc1....
299 5JES - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
300 5JDV - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
301 4MDM Ki = 6.79 uM 26E C3 H5 B9 N2 O2 S B123B45B16....
302 3RZ8 Kd = 6.7 nM RZ8 C13 H20 N2 O3 S CCCCCCNC(=....
303 3EFT Ki = 12 nM 3BS C16 H25 Cl N4 O3 S2 CC1(CC(CC(....
304 5U0D Kd = 28.6 uM 7R7 C11 H11 N O4 S COc1ccc(c(....
305 1CIN Ki = 1.88 nM MTS C9 H14 N2 O4 S3 C[C@H]1C[C....
306 4MLX Kd = 0.65 mM TM7 C6 H6 O2 S CC1=CC(=S)....
307 2FMZ Ki = 35 nM DPN C9 H11 N O2 c1ccc(cc1)....
308 5SZ6 - 72G C13 H11 N O3 S c1cc(cc(c1....
309 3IEO Ki = 331 nM AMJ C13 H18 N2 O3 CC(=O)N[C@....
310 3F4X Ki = 138 nM KLT C14 H11 Cl N2 O4 S c1ccc2c(c1....
311 3T5U Ki = 5.47 uM A09 C6 H7 N O3 S c1ccc(cc1)....
312 1BNU Kd = 0.2 nM AL3 C11 H12 N2 O5 S4 c1cc(sc1)C....
313 1OKN Kd = 2.3 nM STB C12 H19 N3 O3 S2 c1cc(ccc1C....
314 3DBU Ki = 8.8 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
315 4MO8 Ki = 10.1 nM 2VQ C6 H11 N5 O4 S Cc1ncc(n1C....
316 1I9P Kd = 3.9 nM IOE C14 H11 F3 N2 O3 S c1cc(ccc1C....
317 3N2P Ki = 15 nM AYX C13 H12 N4 O5 S c1cc(cc(c1....
318 4QJM Kd = 6.7 nM V1F C21 H19 F3 N2 O4 S2 c1ccc(cc1)....
319 3M40 Kd = 0.17 uM J45 C10 H8 Cl N5 O4 S c1cc(ccc1N....
320 5TY9 Kd = 6.1 uM 7QV C11 H11 N O5 COc1ccc(c(....
321 2FOU Kd = 80 nM B22 C21 H22 Cu N4 O8 S c1cc(cc(c1....
322 4QSA Kd = 40 nM EWW C13 H12 Cl N3 O4 S2 CC1=CC(=O)....
323 5FNG Kd = 1105 uM YIE C8 H6 Cl N4 c1cc(ccc1C....
324 4BF1 Ki = 2.4 nM 9FK C16 H12 N4 O2 S2 c1ccc2c(c1....
325 4ZWI - 62I C13 H24 N2 O11 S2 CC(=O)OC[C....
326 1BN3 Kd = 0.13 nM AL6 C13 H12 N2 O5 S3 COc1cccc(c....
327 4Q90 Ki = 7 mM 4H2 C6 H7 N S CC1=CC(=S)....
328 5EHV Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
329 4MDG Ki = 0.7 uM 25X C3 H5 B10 N2 O2 S B1234B567B....
330 5JQ0 - 6M4 C7 H8 B O3 [B+]1(c2cc....
331 3MNU Ki = 48 nM BON C12 H19 B N2 O4 S B1(OC(C(O1....
332 2ABE Ki = 113 uM HIS C6 H10 N3 O2 c1c([nH+]c....
333 4HEW - 2MZ C4 H6 N2 Cc1[nH]ccn....
334 5G01 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
335 3RYY Kd = 38 nM RYY C10 H14 N2 O3 S CCCNC(=O)c....
336 3SBI Kd = 0.017 uM E90 C12 H11 N3 O3 S2 c1cnc(nc1)....
337 5FNL Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
338 3RZ1 Kd = 1.8 nM RZ1 C12 H9 F9 N2 O3 S c1cc(ccc1C....
339 4QSB Kd = 1300 nM EWY C13 H13 N3 O4 S2 CC1=CC(=O)....
340 1YDB Kd = 5.8 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
341 5EKJ Kd = 1 uM TG4 C14 H23 N3 O3 S CCCCNCC(=O....
342 4Q7W Ki = 2300 uM 6MH C6 H7 N O S CC1=CC=CC(....
343 2EU2 - 5DS C5 H11 N5 O2 S2 CN(C)c1nnc....
344 4CQ0 - SXS C7 H6 N2 O3 S c1cc2c(cc1....
345 1MOO - 4MZ C4 H6 N2 Cc1c[nH]cn....
346 3DC3 Ki = 4.9 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
347 3MNA Ki = 41 nM DWH C12 H13 Cl N6 O4 S COC(=O)CNc....
348 1CNW Kd = 19 nM EG1 C15 H24 N4 O6 S c1cc(ccc1C....
349 4Z0Q Ki = 6.8 nM 4K9 C16 H16 N2 O3 S c1ccc2c(c1....
350 4LP6 - Q4I C68 H64 N12 O16 S CC(C)COc1c....
351 5THJ Ki = 1350 uM 0TR C7 H6 O2 C1=CC=C(C(....
352 2HNC Ki = 60 nM 1SA C2 H4 N4 O2 S2 c1(nnc(s1)....
353 3S9T Kd = 0.22 uM E49 C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
354 4ILX Ki = 233 nM 1EZ C18 H24 N2 O3 S c1cc(ccc1N....
355 5AMD Ki = 2.8 nM 45I C15 H16 N2 O6 S2 c1ccc(cc1)....
356 3P4V Ki = 8 uM PMX C14 H14 Cl N O6 COC(=O)/C=....
357 3IBI Ki = 2.6 nM BOW C8 H19 N O3 S CCCCCCCCOS....
358 5JEH - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
359 2H4N Ki = 2 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
360 5FNM Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
361 1ZSB Kd = 250 mM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
362 3OYQ Ki = 10.3 nM OYQ C13 H20 N2 O3 S CC[C@H](C)....
363 3T85 Ki = 11.3 nM SG7 C10 H17 N O10 S CC(=O)O[C@....
364 1IF5 - FBT C6 H5 F2 N O2 S c1cc(c(c(c....
365 3IBN Ki = 24.5 nM O60 C10 H24 N2 O6 S2 C(CCCCCOS(....
366 4KAP - 1QV C7 H2 F4 N2 O2 S2 c12c(c(c(c....
367 5E28 Ki = 12.3 nM BC5 C12 H12 N2 O2 S c1cc(ccc1c....
368 5LVS - QUJ QUK 6H0 QVS QVE n/a n/a
369 5SZ1 Ki = 1.2 nM 72E C13 H13 N O2 S Cc1ccccc1c....
370 1I90 ic50 = 1.28 nM INM C10 H15 N3 O5 S3 COCCC[N@]1....
371 4IWZ Ki = 51 nM 1GO C8 H8 N4 O3 S3 c1cc(sc1)C....
372 4E3H Ki = 90 nM HQE C6 H6 O2 c1cc(ccc1O....
373 1I8Z ic50 = 1.27 nM INL C18 H21 N3 O6 S3 COc1cccc(c....
374 2F14 Ki = 45 nM FL1 C29 H23 N3 O7 S2 c1cc(ccc1C....
375 3R16 Ki = 50 nM 5UN C12 H12 N2 O3 S2 c1cc(sc1)C....
376 1CIL Ki = 0.372 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
377 4ZX0 - 5L2 C14 H24 N2 O13 S2 CC(=O)OC[C....
378 3MHI Kd = 0.2 uM J90 C11 H11 N5 O5 S c1cc(ccc1C....
379 3DCC Ki = 1.1 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
380 4KNI Kd = 16.7 nM E1E C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
381 3IGP ic50 = 94.5 nM DT7 C11 H16 N2 O4 S COc1cc2c(c....
382 3RYJ Kd = 16 nM RYJ C9 H9 F3 N2 O3 S c1cc(ccc1C....
383 2FOQ Kd = 235 nM B15 C20 H21 Cu N3 O7 S c1cc(ccc1C....
384 4ZWX Ki = 2 nM 5KZ C19 H32 N2 O14 S2 CC(=O)OC[C....
385 5N0D Ki = 3.3 nM 8F2 C22 H20 N2 O5 S c1ccc(cc1)....
386 4Q83 Ki = 64 uM 3FH C6 H4 F3 N O S C1=CN(C(=S....
387 4QJX Kd = 52 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
388 4HU1 Kd = 29 nM V13 C8 H7 F4 N O5 S2 C(CS(=O)(=....
389 4KNN Kd = 16.7 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
390 4KNM Kd = 10 nM E1E C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
391 4QIZ Kd = 7.1 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
392 5E2N Kd = 0.29 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
393 3CZV Ki = 16 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
394 4QJP Kd = 2.5 nM V1F C21 H19 F3 N2 O4 S2 c1ccc(cc1)....
395 4QSJ Kd = 5 nM EWW C13 H12 Cl N3 O4 S2 CC1=CC(=O)....
396 1FLJ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
397 3ML5 - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
398 2NMX Kd = 2.7 uM M25 C10 H14 N2 O3 S CC(=O)NCCc....
399 1BZM - MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
400 2FW4 Kd = 30 nM HIS C6 H10 N3 O2 c1c([nH+]c....
401 3LXE Ki = 250 nM TOR C12 H21 N O8 S CC1(O[C@@H....
402 2IT4 Ki = 24.1 mM PPF C H3 O5 P C(=O)(O)P(....
403 2NN7 Kd = 0.3 uM M29 C11 H15 N O4 S CCOC(=O)CC....
404 5E2M Kd = 59 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
405 4WR7 Kd = 0.002 uM 3TV C9 H9 F4 N O2 S2 CCCSc1c(c(....
406 4WUQ - 3UG C11 H12 F4 N2 O2 S C1CCN(CC1)....
407 1CZM - AAS C8 H10 Hg N2 O4 S CC(=O)O[Hg....
408 2NN1 Kd = 1.5 uM M28 C9 H11 N O4 S c1cc(ccc1C....
409 4WUP Kd = 0.15 nM 3UF C8 H11 N O3 S2 c1cc(ccc1S....
410 2FOY Kd = 120 nM B30 C13 H15 Cu N3 O7 S c1cc(ccc1C....
411 5GMM Kd = 29.1 uM 949 C18 H16 F N O4 S CC1(C(=O)C....
412 1AZM - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
50% Homology Family (435)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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 1I9L Kd = 3.3 nM INV C14 H13 F N2 O3 S c1cc(ccc1C....
7 3VBD Ki = 8.6 nM 0FZ C16 H16 N2 O3 S COc1ccc2c(....
8 3M5E Kd = 0.043 uM JDR C13 H13 Cl N4 O3 S2 CSc1nc(c(c....
9 3P5A Ki = 0.95 nM IT2 C5 H9 N O S2 C1COCCN1C(....
10 2AW1 Ki = 43 nM COX C16 H14 N2 O3 S Cc1c(c(no1....
11 4M2W - ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
12 5J8Z Ki = 5 nM FC4 C20 H16 Cl N5 O4 S2 C[C@H](C(=....
13 4QTL Kd = 120 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
14 5BYI Ki = 30.7 nM 4WA C12 H12 N4 O2 S c1cc(ccc1N....
15 4PYX Kd = 910 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
16 5FLT Kd = 1280 uM VJJ C13 H10 O3 c1ccc(cc1)....
17 4RIV - LSA C7 H5 N O3 S c1ccc2c(c1....
18 5EKM Kd = 0.48 uM TG5 C12 H19 N3 O3 S CCCCNCC(=O....
19 3MHC Ki = 11 nM ARZ C13 H18 N4 O3 S2 C1C2CC3CC1....
20 5L6K - QUK QVS 6H0 QUJ QVE n/a n/a
21 3M96 Kd = 0.06 uM E38 C15 H11 Br Cl N3 O3 S2 c1cc(c(cc1....
22 4ITP Ki = 54 nM 1GD C15 H16 N2 O3 S c1ccc(cc1)....
23 2GD8 ic50 = 379 nM PO1 C19 H28 N2 O7 S2 C[C@]12CC[....
24 5G03 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
25 4QSI Kd = 50 nM EWZ C16 H18 Cl N3 O4 S2 CC(C)(C)C1....
26 1BNV Kd = 1.7 nM AL7 C14 H17 N3 O5 S3 CN[C@@H]1C....
27 1I9Q Kd = 3.9 nM IOF C14 H11 F3 N2 O3 S c1cc(ccc1C....
28 2Q1Q Ki = 7 nM OSP C10 H14 N2 O4 S2 c1cc(ccc1N....
29 5LJT Ki = 1.2 nM A6N C15 H16 N4 O3 S c1ccc(cc1)....
30 1G0E - 4MZ C4 H6 N2 Cc1c[nH]cn....
31 4QIY Kd = 50 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
32 2OSF ic50 ~ 148 uM TH0 C6 H6 O2 S c1cc(c(cc1....
33 5BRV Kd = 0.96 nM 9TH C28 H31 Cl Ir N3 O4 S2 C[C-]12C3(....
34 5U0E Kd = 7.7 uM 7R4 C10 H9 N O S2 c1ccc(cc1)....
35 4PYY Kd = 29 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
36 1G45 Kd = 2.3 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
37 5FNK Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
38 2NNO Kd = 0.4 uM M28 C9 H11 N O4 S c1cc(ccc1C....
39 4Q81 Ki = 950 uM 7MH C7 H9 N O S CC1=CC(=S)....
40 3CA2 - AMS C6 H7 Hg N2 O2 S c1cc(c(cc1....
41 4Q7P Ki = 48 uM 3MH C6 H7 N O S CC1=CC=CN(....
42 4YYT Kd = 428.6 nM S2O C8 H11 N O3 S c1cc(ccc1C....
43 5E2K Ki = 9.3 nM BX4 C12 H12 N2 O2 S c1cc(cc(c1....
44 3M2N - J74 C12 H12 Cl N5 O4 S c1cc(ccc1C....
45 3OYS Ki = 9 nM OYS C14 H14 N2 O3 S c1ccc(cc1)....
46 3RYZ Kd = 2.4 nM RYZ C11 H9 F7 N2 O3 S c1cc(ccc1C....
47 4M2V - BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
48 3S8X Kd = 0.07 uM E59 C13 H13 N3 O4 S2 CC1=CC(=O)....
49 5U0G - 7QY C12 H13 N O4 S COc1ccc(c(....
50 3K7K Kd ~ 8.86 nM KCS C H2 S3 C(=S)(S)S
51 3T83 Ki = 105 nM MG5 C15 H25 N O11 S CCC(=O)O[C....
52 3BL1 Ki = 2520 nM BL1 C16 H16 Cl N3 O3 S C[C@H]1Cc2....
53 5EH7 Kd = 330 uM 5O5 C8 H6 Cl2 N4 O c1cc(c(cc1....
54 4RUY Ki = 12.8 nM 3W6 C9 H13 N O3 S CCCOc1ccc(....
55 3MHO Kd = 0.32 uM J43 C12 H11 Cl N4 O3 S2 CSc1nc(c(c....
56 4YX4 Kd = 1135.3 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
57 4N16 ic50 = 0.22 mM CHD C24 H40 O5 C[C@H](CCC....
58 3K2F Ki = 63 nM NKX C14 H20 N4 O12 S3 CCN([C@H]1....
59 2WEO Kd = 118 nM FBW C6 H6 F N O2 S c1cc(cc(c1....
60 3PO6 - DT9 C12 H18 N2 O4 S C[C@H]1c2c....
61 3V7X Ki = 2.7 nM D7A C17 H20 N2 O5 S COc1ccc(cc....
62 3IBU Ki = 0.7 nM O48 C10 H23 N O3 S CCCCCCCCCC....
63 1BNT Kd = 0.16 nM AL2 C13 H14 N2 O6 S3 COc1ccc(cc....
64 4YXU Kd = 60.6 nM 4JE C9 H13 N O2 S CCCc1ccc(c....
65 4Q09 Kd = 6.7 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
66 5FLS Kd = 905 uM 6ZX C10 H9 Cl O2 C/C(=CC(=O....
67 3DCS Ki = 11.4 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
68 5TYA Kd = 32.9 uM 7QS C9 H7 N O2 S c1ccc(cc1)....
69 3RYV Kd = 86 nM RYV C9 H12 N2 O3 S CCNC(=O)c1....
70 2WEJ Kd = 839 nM FB2 C6 H7 N O2 S c1ccc(cc1)....
71 3MYQ Kd = 0.03 uM E27 C18 H13 Cl N4 O3 S2 c1ccc2c(c1....
72 4ZWZ - 510 C12 H22 N2 O12 S2 COC(=O)[C@....
73 4Q6D Kd = 0.0435 uM WW3 C12 H18 N4 O2 S c1cc(ccc1/....
74 3V5G Ki = 74 nM 0F3 C6 H9 N3 O4 S2 c1cc(ccc1N....
75 1EOU ic50 = 36 nM SMS C9 H15 N O10 S2 CC1(O[C@H]....
76 4RFC Ki = 5.7 nM 3O1 C15 H24 N2 O5 S CC(C)(C)OC....
77 5VGY Kd = 65.5 uM 9AA C12 H14 N2 O4 S COc1ccc(c(....
78 1BN4 Kd = 0.49 nM AL9 C12 H14 N2 O5 S3 COc1ccc(cc....
79 1G4O Kd = 5.6 nM BSB C14 H14 N2 O3 S c1ccc(cc1)....
80 5SZ3 Ki = 2.5 nM 72H C15 H12 N2 O2 S c1ccc2c(c1....
81 4RUZ - 3W8 C8 H11 N O3 S CCOc1ccc(c....
82 3KIG ic50 = 245 nM DA4 C8 H7 N O2 S C#Cc1cccc(....
83 5SZ5 - 72E C13 H13 N O2 S Cc1ccccc1c....
84 3EFI - TRP C11 H12 N2 O2 c1ccc2c(c1....
85 3N0N Ki = 50 nM P9B C13 H8 F5 N3 O3 S c1cc(ccc1N....
86 4Q06 Kd = 15 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
87 2X7T Ki = 232 nM WZB C20 H30 N2 O6 S2 CCc1cc2c(c....
88 4Z1J Kd = 7.7 nM 4KC C16 H16 N2 O3 S c1ccc2c(c1....
89 5U0F Kd = 3.4 uM 7R1 C12 H13 N O3 S2 COc1ccc(c(....
90 3T5Z Ki = 8.96 uM B09 C7 H9 N O3 S CONS(=O)(=....
91 4FIK - TH0 C6 H6 O2 S c1cc(c(cc1....
92 4E3D Ki = 5 mM GTQ C7 H6 O4 c1cc(c(cc1....
93 1G46 Kd = 1.6 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
94 5JEP - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
95 3IBL Ki = 14.6 nM O59 C8 H20 N2 O6 S2 C(CCCCOS(=....
96 5CLU Ki = 78 uM S8A C9 H7 N O5 S c1ccc2c(c1....
97 5FLR Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
98 5EKH Kd = 1.11 uM 5RD C11 H18 N2 O2 S CCCCNCc1cc....
99 5JG5 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
100 1IF6 - FBU C6 H5 F2 N O2 S c1c(cc(cc1....
101 2O4Z Ki = 566 nM HSW H4 N2 O3 S NS(=O)(=O)....
102 3T84 Ki = 106 nM SG6 C8 H15 N O9 S CC(=O)O[C@....
103 4Q78 - 25X C3 H5 B10 N2 O2 S B1234B567B....
104 5EH8 Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
105 5JGT - EVI C3 H4 N2 O2 S2 c1csc(n1)S....
106 2WD2 - MS5 C18 H22 N2 O5 S COc1cccc(c....
107 1CRA - TRI C2 H3 N3 c1[nH]cnn1
108 4KNJ Kd = 11.1 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
109 1OKM - SAB C11 H17 N3 O3 S c1cc(ccc1C....
110 3RZ5 Kd = 13 nM RZ5 C12 H18 N2 O3 S CCCCCNC(=O....
111 4Q7S Ki = 38 uM 2YU C6 H7 N O S CC1=CC(=S)....
112 3N4B Ki = 96 nM WWZ C13 H12 F N3 O3 S c1cc(ccc1N....
113 3M1K Ki = 4.1 uM BEW C5 H6 N O S c1cc[n+](c....
114 1CIM Ki = 1.52 nM PTS C8 H12 N2 O4 S3 C[C@H]1C[C....
115 4MLT Ki = 1.4 mM TM4 C6 H6 O2 S CC1=C(C(=S....
116 3HKN Ki = 4.51 uM MFS C26 H37 N O19 S CC(=O)OC[C....
117 4RFD Ki = 8.9 nM 3O5 C10 H16 N2 O3 S c1cc(ccc1O....
118 2GEH Ki = 28 uM NHY C H4 N2 O2 C(=O)(N)NO
119 4ZX1 - 5L3 C13 H24 N2 O11 S2 CC(=O)O[C@....
120 4E49 Ki = 7.7 uM RCO C6 H6 O2 c1cc(cc(c1....
121 3M3X Kd = 0.15 uM JS7 C13 H15 N5 O5 S COc1c(c(nc....
122 3B4F Ki = 7.2 nM TUO C15 H14 N4 O3 S c1ccc(cc1)....
123 5SZ0 Ki = 0.8 nM 72D C12 H11 N O2 S c1ccc(cc1)....
124 4E3G Ki = 8 mM PHB C7 H6 O3 c1cc(ccc1C....
125 4M2U Ki = 9.1 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
126 4MDL Ki = 1.16 uM 25Y C3 H5 B10 N2 O2 S B1234B567B....
127 4R5B Ki = 185 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
128 4Q99 Ki = 52 uM HT4 C7 H8 O S Cc1ccc(c(c....
129 5N0E Ki = 3.6 nM 8F3 C22 H20 N2 O5 S c1ccc(cc1)....
130 4Z1E Ki = 5.7 nM DF5 C17 H15 N2 O4 S COc1ccc2c(....
131 1BNQ Kd = 0.32 nM AL4 C11 H19 N3 O5 S3 CCN[C@H]1C....
132 1XPZ Kd = 84 nM 4TZ C16 H14 N6 O3 S c1cc(ccc1C....
133 4Z1N Ki = 5.89 nM 4KD C18 H20 N2 O5 S COc1cc2c(c....
134 2NNV Kd = 0.03 uM M29 C11 H15 N O4 S CCOC(=O)CC....
135 4Q8X Ki = 270 uM 7FH C6 H4 F3 N O S C1=CC(=S)N....
136 4KV0 Ki = 12 nM MB7 C13 H14 N4 O5 S2 Cc1ccc(cc1....
137 1G1D Kd = 0.36 nM FSB C14 H13 F N2 O3 S c1ccc(c(c1....
138 4R5A Ki = 2 nM 3J4 C10 H20 N2 O10 S2 C1CN(C[C@@....
139 5SZ7 - 72H C15 H12 N2 O2 S c1ccc2c(c1....
140 4PZH Kd < 10 nM V13 C8 H7 F4 N O5 S2 C(CS(=O)(=....
141 4Q07 Kd < 5 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
142 3N3J Ki = 3.3 nM WWV C16 H19 N3 O3 S CC(C)c1ccc....
143 3CAJ Ki = 8 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
144 5DOH Kd = 32 nM 5DU C17 H17 F3 N2 O3 S2 c1ccc2c(c1....
145 5TI0 Ki = 61 uM 7CZ C7 H6 O S C1=CC=C(C(....
146 4RIU - 3QR C16 H18 N4 O9 S c1cc2c(cc1....
147 3NI5 Ki = 28 nM C1H C13 H15 N5 O9 S3 c1cc(cc(c1....
148 3SBH Kd = 0.033 uM E65 C14 H15 N3 O3 S2 Cc1cc(nc(n....
149 4QY3 Ki = 0.15 uM 3G1 C14 H12 O3 S c1ccc(cc1)....
150 3D9Z Ki = 2 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
151 4HEZ - 1MZ C4 H7 N2 Cn1cc[nH+]....
152 1G52 Kd = 0.29 nM F2B C14 H12 F2 N2 O3 S c1cc(c(c(c....
153 5TY8 Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
154 4Q87 Ki = 14 uM 4FH C6 H4 F3 N O S C1=CN(C(=S....
155 1I9O Kd = 3.8 nM IOC C14 H11 F3 N2 O3 S c1cc(ccc1C....
156 5FLQ Kd = 1080 uM IO2 C15 H14 O3 c1ccc(cc1)....
157 1YDD Kd = 86 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
158 2POV Ki = 75 nM I7B C6 H8 Cl N3 O4 S2 c1c(c(cc(c....
159 1G4J Kd = 2 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
160 3D8W Ki = 7 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
161 5FNH - YIP C8 H6 Cl N4 O c1cc(cc(c1....
162 2WEH Kd = 1125 nM FB1 C6 H6 Cl N O2 S c1ccc(c(c1....
163 3M67 Kd = 0.18 uM E36 C17 H14 Cl N3 O5 S2 c1cc(c(cc1....
164 1I9M Kd = 3.3 nM INW C14 H12 F2 N2 O3 S c1cc(ccc1C....
165 5JE7 - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
166 2X7S Ki = 1660 nM WZC C19 H27 N O5 S C[C@]12CC[....
167 5BRU - 8TH C30 H35 Cl Ir N3 O4 S2 CCCC12C3([....
168 2FMG - PHE C9 H11 N O2 c1ccc(cc1)....
169 1TTM Kd ~ 45 nM 667 C14 H15 N O5 S c1cc2c(cc1....
170 3MHM Kd = 0.1 uM J75 C18 H18 N6 O4 S c1ccc(cc1)....
171 2POW Ki = 63 nM I7C C7 H8 F3 N3 O4 S2 c1c(c(cc(c....
172 5TXY Kd = 3.5 uM 7Q1 C9 H7 N O3 c1ccc(cc1)....
173 1AVN Kd = 0.125 mM HSM C5 H9 N3 c1c(nc[nH]....
174 5EHW Kd = 1005 uM 5OO C9 H6 Cl2 O2 c1cc(c(cc1....
175 1LUG - SUA C13 H14 N2 O3 S3 c1cc(ccc1N....
176 5LJQ Ki = 1 nM ANV C15 H16 N4 O3 S c1ccc(cc1)....
177 4E4A Ki = 9 mM JKE C7 H6 O2 S c1ccc(c(c1....
178 1ZE8 Ki = 21 nM PIU C16 H21 N2 O2 S Cc1cc([n+]....
179 1BNN Kd = 0.1 nM AL1 C13 H14 N2 O5 S3 COc1cccc(c....
180 4RUX Ki = 12 nM 3W3 C9 H11 N O3 S C=CCOc1ccc....
181 5BNL - 2HC C9 H8 O3 c1ccc(c(c1....
182 1XQ0 Kd = 454 nM 4TR C16 H13 Br N6 O3 S c1cc(ccc1C....
183 2Q1B Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
184 4Q8Y Ki = 2300 uM HQT C9 H7 N O S c1ccc2c(c1....
185 5THN Ki = 96 uM 7CZ C7 H6 O S C1=CC=C(C(....
186 4YXO Kd = 125.4 nM 4JC C8 H11 N O2 S CCc1ccc(cc....
187 5DOG - 5DT C21 H19 F3 N2 O2 S2 c1ccc(cc1)....
188 3BET ic50 = 1.5 uM CTF C21 H28 N2 O4 S C[C@]12CC[....
189 4R59 Ki = 11 nM 3J3 C11 H22 N2 O10 S2 C1CN(CCC1O....
190 5DRS Kd = 1.1 nM 5EF C17 H17 F3 N2 O5 S2 c1ccc2c(c1....
191 5FDC Ki = 34.8 nM 5WN C9 H10 N2 O2 S2 c1ccc2c(c1....
192 1YDA Kd = 280 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
193 1CNX Kd = 43 nM EG2 C13 H21 N3 O5 S c1cc(ccc1C....
194 5LMD - RC4 C16 H18 B N2 O5 [B-]1(c2cc....
195 4BCW - TU0 C8 H7 Br O4 S c1cc(c(cc1....
196 5AML Ki = 0.7 nM 51J C11 H12 N2 O6 S2 CC#CCNS(=O....
197 4Q7V Ki = 260 uM 5MH C6 H7 N O S CC1=CN(C(=....
198 3RYX Kd = 7.3 nM RYX C10 H9 F5 N2 O3 S c1cc(ccc1C....
199 5EH5 Kd = 1.35 uM XCZ C5 H7 N3 O2 S Cc1ccnc(n1....
200 1IF9 - SBB C19 H21 N3 O3 S CC[C@H](CN....
201 5FNI Kd = 330 uM YIH C8 H5 Cl2 N4 O c1cc(c(cc1....
202 4RN4 Ki = 114 nM 3T7 C20 H24 N10 O7 S2 c1ccc(cc1)....
203 2H15 Ki = 2135 nM B19 C12 H22 N2 O7 S CC1(O[C@@H....
204 4Q8Z - 4HO C6 H7 N O2 CC1=CC(=O)....
205 3T82 Ki = 307 nM SG4 C10 H17 N O10 S CC(=O)O[C@....
206 1KWR ic50 = 0.25 uM SG2 C8 H8 N2 O3 S2 CN1c2ccc(c....
207 5THI Ki = 245 uM 0TR C7 H6 O2 C1=CC=C(C(....
208 1OQ5 ic50 = 21 nM CEL C17 H14 F3 N3 O2 S Cc1ccc(cc1....
209 2HL4 Ki = 23 nM BO1 C12 H18 N2 O7 S c1cc(ccc1N....
210 2OSM ic50 = 1.05 uM HTS C6 H6 O S c1ccc(c(c1....
211 3P58 Ki = 25.4 nM P58 C9 H11 N S2 CN(Cc1cccc....
212 1G53 Kd = 0.91 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
213 4MTY - SBW C14 H14 N2 O4 S c1cc(cc(c1....
214 3BL0 Ki = 121 nM BL0 C5 H10 N4 O2 S2 CN(C)c1nnc....
215 2QOA Ki = 52 nM MAJ C9 H11 N O2 S c1cc2c(cc1....
216 3SAX Kd = 0.14 uM E50 C14 H14 Cl N3 O3 S2 CCc1cnc(nc....
217 4HEY - 4MZ C4 H6 N2 Cc1c[nH]cn....
218 1BCD Kd = 2 nM FMS C H2 F3 N O2 S C(F)(F)(F)....
219 5E2R Ki = 86.2 nM 520 C19 H16 N2 O3 S c1cc(ccc1c....
220 3RZ7 Kd = 1.1 nM RZ7 C13 H9 F11 N2 O3 S c1cc(ccc1C....
221 3MHL Kd = 0.056 uM J71 C12 H13 N5 O5 S COc1c(c(nc....
222 2FNN Ki = 200 mM 4MZ C4 H6 N2 Cc1c[nH]cn....
223 3P5L Ki = 40.8 nM IT5 C13 H14 N2 S2 c1ccc(cc1)....
224 5E2S Ki = 0.98 nM 5CX C15 H17 N O2 S CC(C)c1ccc....
225 4Q08 Kd = 500 nM V90 C16 H23 F3 N2 O3 S2 C1CCCC(CCC....
226 2WD3 ic50 = 86 nM MS4 C16 H12 Cl N5 O3 S c1cc(c(cc1....
227 2POU Ki = 38 nM I7A C6 H6 Cl2 N2 O4 S2 c1c(cc(c(c....
228 4E3F Ki = 3 mM GRE C7 H6 O4 c1cc(c(c(c....
229 3NB5 Ki = 18 nM R21 C16 H17 Cl N2 O4 S c1cc(ccc1C....
230 5AMG Ki = 6 nM IW7 C12 H18 N2 O6 S2 CCCCCNS(=O....
231 2HOC Ki = 0.3 nM 1CN C8 H7 Cl F N5 O4 S3 c1c(cc(c(c....
232 1I9N Kd = 2.2 nM IOA C14 H12 F2 N2 O3 S c1cc(ccc1C....
233 3DD8 Ki = 14 nM 2C7 C16 H21 N O5 S2 c1cc2c(cc1....
234 4Q9Y Ki = 2.1 uM M3T C7 H8 S Cc1cccc(c1....
235 5FLP Kd = 631 uM 6J5 C8 H7 Cl N4 O c1ccc(c(c1....
236 2WEG Kd = 314 nM FBV C6 H6 F N O2 S c1ccc(c(c1....
237 3RZ0 Kd = 28 nM RZ0 C11 H16 N2 O3 S CCCCNC(=O)....
238 4ZWY Ki = 10 nM 4SN C19 H32 N2 O14 S2 CC(=O)OC[C....
239 1CNY Kd = 14 nM EG3 C22 H30 N4 O6 S c1ccc(cc1)....
240 3MMF Ki = 37 nM D9H C11 H13 Cl N6 O3 S c1cc(ccc1N....
241 5TFX Ki = 60.9 nM 7B1 C14 H11 N3 O4 S c1ccc(cc1)....
242 4WW6 Kd = 0.062 nM 3TV C9 H9 F4 N O2 S2 CCCSc1c(c(....
243 3SAP Kd = 0.014 uM E2I C16 H19 N3 O3 S2 CCCCc1cnc(....
244 2FOV Kd = 28 nM B30 C13 H15 Cu N3 O7 S c1cc(ccc1C....
245 2X7U Ki = 5340 nM WZA C19 H27 N O5 S C[C@]12CC[....
246 5JEG - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
247 2NNS Kd = 0.9 uM M25 C10 H14 N2 O3 S CC(=O)NCCc....
248 4Q6E Kd = 0.667 uM KR5 C14 H18 N4 O3 S Cc1cc(n(n1....
249 4JSZ Ki = 5000 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
250 5FDI Ki = 18.5 nM 5WM C9 H10 N2 O4 S2 c1ccc2c(c1....
251 5GMN Kd = 18.8 uM 949 C18 H16 F N O4 S CC1(C(=O)C....
252 3FFP Ki = 72.5 nM LC1 C10 H8 N4 O2 S2 c1cc2c(cc1....
253 3R17 Ki = 390 nM 5UM C12 H11 F N2 O3 S2 c1cc(sc1)C....
254 5SZ2 Ki = 2 nM 72G C13 H11 N O3 S c1cc(cc(c1....
255 2HD6 Ki = 16 nM BOS C13 H12 N2 O3 S2 c1ccc(c(c1....
256 2QO8 Ki = 3.4 nM 3CC C17 H26 N2 O3 S CCCC(CCC)C....
257 5FNJ Kd = 5150 uM YI6 C10 H12 O3 CCOc1ccc(c....
258 1I91 ic50 = 1.15 nM INQ C17 H19 N3 O6 S3 c1cc(cc(c1....
259 4YXI Kd = 331.7 nM 4J8 C7 H9 N O2 S Cc1ccc(cc1....
260 1BN1 Kd = 0.46 nM AL5 C12 H14 N2 O4 S3 Cc1ccc(cc1....
261 5JQT Ki = 8180 nM 6M9 C7 H7 B O2 B1(c2ccccc....
262 1G48 Kd = 3.9 nM F6B C14 H12 F2 N2 O3 S c1cc(c(c(c....
263 5SZ4 - 72D C12 H11 N O2 S c1ccc(cc1)....
264 1AM6 ic50 = 47 uM HAE C2 H5 N O2 CC(=O)NO
265 1OKL Kd = 0.93 uM MNS C12 H14 N2 O2 S CN(C)c1ccc....
266 3OY0 Ki = 10.1 nM OY0 C15 H24 N2 O3 S CCC[C@H](C....
267 2FOS Kd = 27 nM B17 C17 H23 Cu N3 O9 S c1cc(ccc1C....
268 2EZ7 Kd = 43.5 uM DHI C6 H10 N3 O2 c1c([nH+]c....
269 3MZC Ki = 226 nM S6I C12 H17 N3 O3 S c1cc(ccc1N....
270 5A6H Ki = 88 nM OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
271 1IF7 Kd = 30 pM SBR C19 H21 N3 O3 S C[C@H](CNC....
272 3DCW Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
273 5JGS - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
274 3C7P ic50 = 0.1 nM POF C24 H27 N3 O5 S C[C@]12CC[....
275 5O07 Ki = 33.8 nM 1VQ C6 H10 N4 O5 S Cc1ncc(n1C....
276 5TH4 - BEW C5 H6 N O S c1cc[n+](c....
277 3DAZ Ki = 11.8 nM MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
278 4PQ7 Ki = 9.5 nM IL3 C11 H14 N2 O3 S CC#CCOc1cc....
279 5L3O - QUJ QUK 6H0 QVS QVE n/a n/a
280 1G54 Kd = 1.5 nM FFB C14 H9 F5 N2 O3 S c1cc(ccc1C....
281 4Z1K Ki = 4.7 nM 4KB C16 H16 N2 O5 S c1cc(ccc1C....
282 4JSS Ki = 500 uM BEW C5 H6 N O S c1cc[n+](c....
283 2Q38 Ki = 5950 nM LSA C7 H5 N O3 S c1ccc2c(c1....
284 3HS4 Ki = 10 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
285 4BF6 Ki = 4.5 nM X0Q C13 H9 N5 O2 S2 c1cc(cc(c1....
286 2HKK Ka = 96 M^-1 ALE C9 H13 N O3 CNC[C@@H](....
287 2NNG Kd = 4.4 uM ZYX C8 H12 N2 O2 S c1cc(ccc1C....
288 3F8E Ki = 59 nM TE1 C15 H20 O5 CC(C)C[C@@....
289 5FLO Kd = 709 uM J4K C8 H7 Cl N4 O c1cc(ccc1O....
290 3DD0 Ki < 1 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
291 3ML2 Ki = 9.1 nM SU0 C18 H16 N2 O6 S COc1ccc2c(....
292 4M2R Ki = 3.2 nM BZ1 C12 H21 N3 O5 S3 CCN[C@H]1C....
293 4JSA Ki = 11 uM FB2 C6 H7 N O2 S c1ccc(cc1)....
294 3CYU Kd = 60 nM 0CR C74 H74 N10 O18 S COc1cc2c3c....
295 1IF4 - FBS C6 H6 F N O2 S c1cc(ccc1F....
296 1BNW Kd = 0.83 nM TPD C9 H10 N2 O4 S4 c1cc(sc1)C....
297 2EU3 - FF3 C3 H4 F2 N4 O2 S2 c1(nnc(s1)....
298 2QP6 Ki = 58.9 nM MB1 C6 H5 Cl N2 O4 S c1cc(c(cc1....
299 5JES - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
300 5JDV - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
301 4MDM Ki = 6.79 uM 26E C3 H5 B9 N2 O2 S B123B45B16....
302 3RZ8 Kd = 6.7 nM RZ8 C13 H20 N2 O3 S CCCCCCNC(=....
303 3EFT Ki = 12 nM 3BS C16 H25 Cl N4 O3 S2 CC1(CC(CC(....
304 5U0D Kd = 28.6 uM 7R7 C11 H11 N O4 S COc1ccc(c(....
305 1CIN Ki = 1.88 nM MTS C9 H14 N2 O4 S3 C[C@H]1C[C....
306 4MLX Kd = 0.65 mM TM7 C6 H6 O2 S CC1=CC(=S)....
307 2FMZ Ki = 35 nM DPN C9 H11 N O2 c1ccc(cc1)....
308 5SZ6 - 72G C13 H11 N O3 S c1cc(cc(c1....
309 3IEO Ki = 331 nM AMJ C13 H18 N2 O3 CC(=O)N[C@....
310 3F4X Ki = 138 nM KLT C14 H11 Cl N2 O4 S c1ccc2c(c1....
311 3T5U Ki = 5.47 uM A09 C6 H7 N O3 S c1ccc(cc1)....
312 1BNU Kd = 0.2 nM AL3 C11 H12 N2 O5 S4 c1cc(sc1)C....
313 1OKN Kd = 2.3 nM STB C12 H19 N3 O3 S2 c1cc(ccc1C....
314 3DBU Ki = 8.8 nM D8W C8 H8 N4 O4 S3 c1ccc(cc1)....
315 4MO8 Ki = 10.1 nM 2VQ C6 H11 N5 O4 S Cc1ncc(n1C....
316 1I9P Kd = 3.9 nM IOE C14 H11 F3 N2 O3 S c1cc(ccc1C....
317 3N2P Ki = 15 nM AYX C13 H12 N4 O5 S c1cc(cc(c1....
318 4QJM Kd = 6.7 nM V1F C21 H19 F3 N2 O4 S2 c1ccc(cc1)....
319 3M40 Kd = 0.17 uM J45 C10 H8 Cl N5 O4 S c1cc(ccc1N....
320 5TY9 Kd = 6.1 uM 7QV C11 H11 N O5 COc1ccc(c(....
321 2FOU Kd = 80 nM B22 C21 H22 Cu N4 O8 S c1cc(cc(c1....
322 4QSA Kd = 40 nM EWW C13 H12 Cl N3 O4 S2 CC1=CC(=O)....
323 5FNG Kd = 1105 uM YIE C8 H6 Cl N4 c1cc(ccc1C....
324 4BF1 Ki = 2.4 nM 9FK C16 H12 N4 O2 S2 c1ccc2c(c1....
325 4ZWI - 62I C13 H24 N2 O11 S2 CC(=O)OC[C....
326 1BN3 Kd = 0.13 nM AL6 C13 H12 N2 O5 S3 COc1cccc(c....
327 4Q90 Ki = 7 mM 4H2 C6 H7 N S CC1=CC(=S)....
328 5EHV Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
329 4MDG Ki = 0.7 uM 25X C3 H5 B10 N2 O2 S B1234B567B....
330 5JQ0 - 6M4 C7 H8 B O3 [B+]1(c2cc....
331 3MNU Ki = 48 nM BON C12 H19 B N2 O4 S B1(OC(C(O1....
332 2ABE Ki = 113 uM HIS C6 H10 N3 O2 c1c([nH+]c....
333 4HEW - 2MZ C4 H6 N2 Cc1[nH]ccn....
334 5G01 - OE2 C11 H14 Br N3 O5 S c1cc(c(cc1....
335 3RYY Kd = 38 nM RYY C10 H14 N2 O3 S CCCNC(=O)c....
336 3SBI Kd = 0.017 uM E90 C12 H11 N3 O3 S2 c1cnc(nc1)....
337 5FNL Kd = 826 uM 5ON C18 H16 O5 c1cc(cc(c1....
338 3RZ1 Kd = 1.8 nM RZ1 C12 H9 F9 N2 O3 S c1cc(ccc1C....
339 4QSB Kd = 1300 nM EWY C13 H13 N3 O4 S2 CC1=CC(=O)....
340 1YDB Kd = 5.8 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
341 5EKJ Kd = 1 uM TG4 C14 H23 N3 O3 S CCCCNCC(=O....
342 4Q7W Ki = 2300 uM 6MH C6 H7 N O S CC1=CC=CC(....
343 2EU2 - 5DS C5 H11 N5 O2 S2 CN(C)c1nnc....
344 4CQ0 - SXS C7 H6 N2 O3 S c1cc2c(cc1....
345 1MOO - 4MZ C4 H6 N2 Cc1c[nH]cn....
346 3DC3 Ki = 4.9 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
347 3MNA Ki = 41 nM DWH C12 H13 Cl N6 O4 S COC(=O)CNc....
348 1CNW Kd = 19 nM EG1 C15 H24 N4 O6 S c1cc(ccc1C....
349 4Z0Q Ki = 6.8 nM 4K9 C16 H16 N2 O3 S c1ccc2c(c1....
350 4LP6 - Q4I C68 H64 N12 O16 S CC(C)COc1c....
351 5THJ Ki = 1350 uM 0TR C7 H6 O2 C1=CC=C(C(....
352 2HNC Ki = 60 nM 1SA C2 H4 N4 O2 S2 c1(nnc(s1)....
353 3S9T Kd = 0.22 uM E49 C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
354 4ILX Ki = 233 nM 1EZ C18 H24 N2 O3 S c1cc(ccc1N....
355 5AMD Ki = 2.8 nM 45I C15 H16 N2 O6 S2 c1ccc(cc1)....
356 3P4V Ki = 8 uM PMX C14 H14 Cl N O6 COC(=O)/C=....
357 3IBI Ki = 2.6 nM BOW C8 H19 N O3 S CCCCCCCCOS....
358 5JEH - EVF C7 H6 N2 O2 S2 c1ccc2c(c1....
359 2H4N Ki = 2 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
360 5FNM Kd = 791 uM 5O6 C11 H12 O3 C/C(=CC(=O....
361 1ZSB Kd = 250 mM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
362 3OYQ Ki = 10.3 nM OYQ C13 H20 N2 O3 S CC[C@H](C)....
363 3T85 Ki = 11.3 nM SG7 C10 H17 N O10 S CC(=O)O[C@....
364 1IF5 - FBT C6 H5 F2 N O2 S c1cc(c(c(c....
365 3IBN Ki = 24.5 nM O60 C10 H24 N2 O6 S2 C(CCCCCOS(....
366 4KAP - 1QV C7 H2 F4 N2 O2 S2 c12c(c(c(c....
367 5E28 Ki = 12.3 nM BC5 C12 H12 N2 O2 S c1cc(ccc1c....
368 5LVS - QUJ QUK 6H0 QVS QVE n/a n/a
369 5SZ1 Ki = 1.2 nM 72E C13 H13 N O2 S Cc1ccccc1c....
370 1I90 ic50 = 1.28 nM INM C10 H15 N3 O5 S3 COCCC[N@]1....
371 4IWZ Ki = 51 nM 1GO C8 H8 N4 O3 S3 c1cc(sc1)C....
372 4E3H Ki = 90 nM HQE C6 H6 O2 c1cc(ccc1O....
373 1I8Z ic50 = 1.27 nM INL C18 H21 N3 O6 S3 COc1cccc(c....
374 2F14 Ki = 45 nM FL1 C29 H23 N3 O7 S2 c1cc(ccc1C....
375 3R16 Ki = 50 nM 5UN C12 H12 N2 O3 S2 c1cc(sc1)C....
376 1CIL Ki = 0.372 nM ETS C10 H16 N2 O4 S3 CCN[C@H]1C....
377 4ZX0 - 5L2 C14 H24 N2 O13 S2 CC(=O)OC[C....
378 3MHI Kd = 0.2 uM J90 C11 H11 N5 O5 S c1cc(ccc1C....
379 3DCC Ki = 1.1 nM D9Z C8 H6 Cl N3 O2 S2 c1ccc(c(c1....
380 4KNI Kd = 16.7 nM E1E C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
381 3IGP ic50 = 94.5 nM DT7 C11 H16 N2 O4 S COc1cc2c(c....
382 3RYJ Kd = 16 nM RYJ C9 H9 F3 N2 O3 S c1cc(ccc1C....
383 2FOQ Kd = 235 nM B15 C20 H21 Cu N3 O7 S c1cc(ccc1C....
384 4ZWX Ki = 2 nM 5KZ C19 H32 N2 O14 S2 CC(=O)OC[C....
385 5N0D Ki = 3.3 nM 8F2 C22 H20 N2 O5 S c1ccc(cc1)....
386 4Q83 Ki = 64 uM 3FH C6 H4 F3 N O S C1=CN(C(=S....
387 4QJX Kd = 52 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
388 4HU1 Kd = 29 nM V13 C8 H7 F4 N O5 S2 C(CS(=O)(=....
389 4KNN Kd = 16.7 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
390 4KNM Kd = 10 nM E1E C14 H14 Cl N3 O3 S2 Cc1cc(nc(n....
391 4QIZ Kd = 7.1 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
392 5E2N Kd = 0.29 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
393 3CZV Ki = 16 nM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
394 4QJP Kd = 2.5 nM V1F C21 H19 F3 N2 O4 S2 c1ccc(cc1)....
395 4QSJ Kd = 5 nM EWW C13 H12 Cl N3 O4 S2 CC1=CC(=O)....
396 4COQ - SAN C6 H8 N2 O2 S c1cc(ccc1N....
397 4UOV - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
398 5TT3 Ki = 193 nM EZL C9 H10 N2 O3 S2 CCOc1ccc2c....
399 5TUO Ki = 323 nM 1SA C2 H4 N4 O2 S2 c1(nnc(s1)....
400 4X5S - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
401 4QJ0 Kd = 48 nM WWX C22 H21 F3 N2 O6 S2 c1ccc(cc1)....
402 4QJO Kd = 40 nM V1F C21 H19 F3 N2 O4 S2 c1ccc(cc1)....
403 4KP8 Kd = 3330 nM E1G C12 H11 N3 O3 S2 c1cc(cc(c1....
404 4KP5 Kd = 833 nM E1F C12 H10 Cl N3 O3 S2 c1cnc(nc1)....
405 1JD0 - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
406 4QJW Kd = 16 nM WWO C15 H15 F3 N2 O5 S2 c1ccc(cc1)....
407 4HT2 Kd = 290 nM V50 C12 H9 F4 N3 O2 S2 Cc1cc(nc(n....
408 4WW8 Kd = 0.067 nM VD9 C9 H13 N O2 S2 CCCSc1ccc(....
409 4Q0L Kd < 10 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
410 1FLJ - GSH C10 H17 N3 O6 S C(CC(=O)N[....
411 5FL6 Ki = 43.6 nM Y0R C13 H12 N4 O2 S2 Cc1ccc(cc1....
412 5FL4 Ki = 101 nM 9FK C16 H12 N4 O2 S2 c1ccc2c(c1....
413 3IAI - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
414 5FL5 Ki = 6.4 nM 82E C13 H12 N4 O3 S2 COc1ccc(cc....
415 1DMY - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
416 3ML5 - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
417 2NMX Kd = 2.7 uM M25 C10 H14 N2 O3 S CC(=O)NCCc....
418 1BZM - MZM C5 H8 N4 O3 S2 CC(=O)/N=C....
419 2FW4 Kd = 30 nM HIS C6 H10 N3 O2 c1c([nH+]c....
420 3LXE Ki = 250 nM TOR C12 H21 N O8 S CC1(O[C@@H....
421 2IT4 Ki = 24.1 mM PPF C H3 O5 P C(=O)(O)P(....
422 2NN7 Kd = 0.3 uM M29 C11 H15 N O4 S CCOC(=O)CC....
423 5E2M Kd = 59 nM V14 C16 H23 F3 N2 O5 S2 C1CCCC(CCC....
424 4WR7 Kd = 0.002 uM 3TV C9 H9 F4 N O2 S2 CCCSc1c(c(....
425 4WUQ - 3UG C11 H12 F4 N2 O2 S C1CCN(CC1)....
426 1CZM - AAS C8 H10 Hg N2 O4 S CC(=O)O[Hg....
427 2NN1 Kd = 1.5 uM M28 C9 H11 N O4 S c1cc(ccc1C....
428 4WUP Kd = 0.15 nM 3UF C8 H11 N O3 S2 c1cc(ccc1S....
429 2FOY Kd = 120 nM B30 C13 H15 Cu N3 O7 S c1cc(ccc1C....
430 5GMM Kd = 29.1 uM 949 C18 H16 F N O4 S CC1(C(=O)C....
431 1AZM - AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
432