Receptor
PDB id Resolution Class Description Source Keywords
2azb 2.03 Å EC: 3.4.23.16 HIV-1 PROTEASE NL4-3 3X MUTANT IN COMPLEX WITH INHIBITOR, TL HUMAN IMMUNODEFICIENCY VIRUS 1 HIV-1 PROTEASE INHIBITOR TL-3 HYDROLASE-HYDROLASE INHIBICOMPLEX
Ref.: STRUCTURAL INSIGHTS INTO THE MECHANISMS OF DRUG RES IN HIV-1 PROTEASE NL4-3 J.MOL.BIOL. V. 356 967 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3TL A:200;
Valid;
none;
ic50 = 64 nM
909.077 C50 H64 N6 O10 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I0D 1.95 Å EC: 3.4.23.16 CRYSTAL STRUCTURE OF AD-81 COMPLEXED WITH WILD TYPE HIV-1 PR HUMAN IMMUNODEFICIENCY VIRUS 1 DRUG DESIGN HIV-1 PROTEASE PROTEASE INHIBITORS HYDROLASE
Ref.: DISCOVERY OF HIV-1 PROTEASE INHIBITORS WITH PICOMOL AFFINITIES INCORPORATING N-ARYL-OXAZOLIDINONE-5-CAR AS NOVEL P2 LIGANDS. J.MED.CHEM. V. 49 7342 2006
Members (472)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4HEG Ki = 1.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
2 1MER Ki = 10 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
3 4HLA - 017 C27 H37 N3 O7 S CC(C)C[N@@....
4 3TKW - 017 C27 H37 N3 O7 S CC(C)C[N@@....
5 4COE Ki = 65 nM M17 C44 H59 N5 O6 CC(C)[C@@H....
6 1HVR Ki = 0.31 nM XK2 C41 H38 N2 O3 c1ccc(cc1)....
7 2BPV Ki = 21.2 nM 1IN C35 H51 N5 O5 C[C@H]1CC[....
8 1G35 Ki = 7.3 nM AHF C35 H40 N2 O9 S COC(c1ccc(....
9 2QI5 Ki = 0.014 nM MZ7 C29 H40 N4 O5 S2 CCCCC[N@@]....
10 4K4R - 3TL C50 H64 N6 O10 C[C@@H](C(....
11 3CKT Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
12 2AVS Ki = 27 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
13 2IDW Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
14 2I4V Kd = 9.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
15 1NPV ic50 = 5.7 nM L27 C35 H37 N3 O6 c1ccc(cc1)....
16 1HIV Ki < 1 nM 1ZK C45 H62 N7 O7 CC[C@H](C)....
17 4I8Z Ki = 8.9 pM G08 C28 H37 N3 O8 S CC(C)CN(C[....
18 2F3K Kd = 0.95 nM RO1 C37 H53 N5 O7 S CC(C)(C)NC....
19 4ZIP Ki = 0.21 nM G64 C37 H46 N4 O7 S Cc1cc(cc(c....
20 3R4B - 74T C38 H53 N5 O7 S2 CC(C)C[N@@....
21 1AJV Ki = 19.1 nM NMB C32 H34 N2 O6 S c1ccc(cc1)....
22 4U7V Ki = 3.2 uM 3EN C28 H36 N4 O4 S CC(C)[C@@H....
23 1GNM Ki = 560 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
24 3KDB Kd = 0.14 nM 006 C35 H41 N3 O6 S Cc1cccc(c1....
25 1B6K Ki = 1.8 nM PI5 C37 H53 N5 O7 CC[C@H](C)....
26 4DQF - 017 C27 H37 N3 O7 S CC(C)C[N@@....
27 1QBT Ki = 0.024 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
28 5COO - 52Z C30 H42 N2 O10 S CC(C)CN(C[....
29 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
30 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
31 4FLG - GLN ILE ILE n/a n/a
32 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
33 4CPU Ki = 29.5 nM V78 C40 H55 N5 O6 S CC(C)[C@H]....
34 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
35 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
36 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
37 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
38 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
39 3B7V - ASN LEU LNT GLN ILE n/a n/a
40 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
41 1B6J Ki = 12 nM PI1 C34 H53 N7 O8 CC[C@H](C)....
42 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
43 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
44 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
45 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
46 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
47 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
48 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
49 5JFU Ki = 8.5 nM 6KQ C35 H46 N2 O8 S COc1ccc(cc....
50 4GZF ic50 = 142 nM ILO VAL DC0 GLU ALA NLE n/a n/a
51 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
52 5IVQ - 6EH C24 H31 N3 O4 COC(=O)N[C....
53 4CPQ - 9MW C43 H58 N6 O6 CC(C)[C@@H....
54 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
55 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
56 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
57 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
58 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
59 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
60 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
61 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
62 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
63 4CPW - V78 C40 H55 N5 O6 S CC(C)[C@H]....
64 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
65 4LL3 Kd = 2.7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
66 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
67 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
68 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
69 1FG6 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
70 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
71 3HBO Kd = 8.2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
72 4HE9 Ki = 3.5 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
73 1BV7 Ki = 0.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
74 1HPS Ki = 0.6 nM RUN C38 H46 N4 O5 CC(C)[C@@H....
75 2I4U Ki = 2.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
76 5AH9 - C7L C30 H43 N3 O9 S CC(C)CN(C[....
77 5IVR - 6EG C34 H38 N4 O4 COC(=O)N[C....
78 4EJL Kd = 7.2 uM IOP C11 H11 N O2 c1ccc2c(c1....
79 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
80 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
81 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
82 5COK - 52U C29 H40 N2 O8 S CC(C)CN(C[....
83 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
84 5JG1 Ki = 1.9 nM 6KR C33 H50 N2 O8 S CC(C)CN(C[....
85 2NNP - ROC C38 H50 N6 O5 CC(C)(C)NC....
86 3KFN - 4DX C7 H14 O C[C@H]1CCC....
87 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
88 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
89 1VIK Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
90 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
91 2I4X Kd = 9.7 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
92 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
93 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
94 4OBJ - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
95 1FFI - 2NC C35 H68 N11 O8 CCCC[C@@H]....
96 4CPR Ki = 35 nM 378 C42 H57 N5 O6 S CC(C)[C@@H....
97 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
98 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
99 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
100 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
101 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
102 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
103 5KR2 Ki = 3.3 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
104 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
105 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
106 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co [B@H]12[BH....
107 2NXM Kd = 0.54 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
108 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
109 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
110 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
111 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
112 5COP - 53F C29 H41 N3 O9 S CC(C)CN(C[....
113 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
114 4ZLS Ki = 0.82 nM G61 C34 H46 N2 O8 S CC(C)CN(C[....
115 5BS4 Ki = 0.0099 nM 4UX C28 H40 N4 O7 S CC(C)CN(C[....
116 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
117 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co [B@H]12[BH....
118 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
119 4CP7 Ki = 7.8 nM 9MW C43 H58 N6 O6 CC(C)[C@@H....
120 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
121 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
122 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
123 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
124 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
125 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
126 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
127 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
128 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
129 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
130 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
131 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
132 4QJA - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
133 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
134 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
135 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
136 4Q1W Ki = 2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
137 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
138 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
139 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
140 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
141 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
142 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
143 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
144 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
145 1K2C - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
146 1ODX - 0E8 C30 H45 N3 O6 CC(C)(C)OC....
147 4QJ9 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
148 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
149 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
150 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
151 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
152 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
153 2Q64 Ki = 0.07 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
154 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
155 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
156 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
157 5JFP Ki = 0.48 nM 6KK C32 H48 N2 O8 S CC(C)CN(C[....
158 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
159 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
160 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
161 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
162 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
163 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
164 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
165 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
166 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
167 1FFF - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
168 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
169 5DGW Ki = 0.009 nM 5B5 C31 H45 N3 O8 S CCN[C@H]1C....
170 1NH0 Ki ~ 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
171 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 CC(C)(C)OC....
172 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
173 4U7Q Ki = 180 pM 3EM C43 H51 N5 O8 S CCN(CC)c1c....
174 1BDQ Ki = 460 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
175 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
176 4CPS - 1T8 C41 H54 N6 O6 CC(C)[C@H]....
177 2NMY - ROC C38 H50 N6 O5 CC(C)(C)NC....
178 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
179 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
180 1DAZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
181 2AZC ic50 = 183 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
182 5CON - 52W C29 H40 N2 O9 S CC(C)CN(C[....
183 4QJ8 - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
184 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
185 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
186 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
187 1MTB - QNC ASN HPH DIQ NTB n/a n/a
188 1FG8 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
189 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
190 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
191 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
192 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
193 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
194 2IEN Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
195 1SP5 - TYR ASP GLN ILE LEU n/a n/a
196 5IVT ic50 = 0.8 nM 6EE C30 H30 Cl F6 N5 O4 c1cc(ccc1[....
197 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
198 1VIJ Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
199 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
200 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
201 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
202 3CYX Ki = 10 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
203 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
204 1EBK - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
205 5UOV Ki = 0.025 nM 8FP C37 H44 N4 O6 S2 Cc1csc(n1)....
206 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
207 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
208 5UPZ Ki = 0.63 nM 8HD C35 H42 N4 O7 S Cc1coc(n1)....
209 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
210 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
211 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
212 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
213 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
214 1K1U - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
215 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
216 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
217 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
218 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
219 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
220 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
221 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
222 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
223 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
224 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
225 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
226 1DW6 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
227 1BWA Ki = 2.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
228 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
229 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
230 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
231 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
232 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
233 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
234 3NWX - KVS C36 H66 N10 O10 [H]/N=C(\N....
235 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
236 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
237 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
238 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
239 2J9K - 2NC C35 H68 N11 O8 CCCC[C@@H]....
240 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
241 2NPH - TYR VAL ASP GLY ALA n/a n/a
242 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
243 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
244 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
245 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
246 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
247 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
248 5KQZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
249 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
250 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
251 3BVB Ka = 3300000 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
252 5KR0 Ki = 0.71 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
253 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
254 2NXL Kd = 6.2 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
255 4TVH - 3TL C50 H64 N6 O10 C[C@@H](C(....
256 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
257 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
258 7HVP Ki = 0.24 nM ACE SER LEU ASN JG3 ILE VME n/a n/a
259 2R5P Ki = 3.3 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
260 1LZQ Ki = 4.1 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
261 1A94 Ki = 14 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
262 1HVK Ki = 77 pM A79 C44 H58 N8 O6 CC(C)[C@@H....
263 2R38 Ki = 0.036 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
264 3BXS Ki = 8 uM DRS C19 H26 N2 O5 CC(C)[C@H]....
265 2QD7 Ki = 0.8 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
266 3DK1 Ki = 0.18 nM G05 C29 H40 N2 O8 S CC(C)C[N@@....
267 2BB9 ic50 = 0.44 nM AKC C36 H39 N3 O7 CCOCCOC(=O....
268 1HEG Ki = 18 nM PSI C29 H47 N5 O7 C[C@@H](C(....
269 4FL8 - GLN ILE IL0 ILE GLU ILE ALA n/a n/a
270 4Q1Y Ki = 45 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
271 2FGV Kd = 760 nM QNC ASN HPH DIQ NTB n/a n/a
272 1EC0 Ki = 3.2 nM BED C38 H38 F2 N2 O8 c1ccc2c(c1....
273 1K6C Kd = 33 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
274 1MSN Kd = 81 nM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
275 2PSV Ki = 58 nM MUV C23 H31 N3 O6 S CNC(=O)CCC....
276 1DMP Ki = 0.28 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
277 2QNP Ki = 0.39 uM QN2 C30 H29 I2 N3 O4 S2 c1ccc(cc1)....
278 3S53 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
279 1HXB Ki = 0.12 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
280 1HSG Ki = 2.45 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
281 1IIQ Ki = 33 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
282 2AZ8 ic50 = 6 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
283 4QJ7 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
284 2QI1 Ki = 50 nM MZ4 C29 H30 N2 O7 S2 COc1cccc(c....
285 1RL8 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
286 2AVO Ki = 1.4 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
287 3NU6 Ki = 0.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
288 3DCR ic50 = 6.3 nM KVS C36 H66 N10 O10 [H]/N=C(\N....
289 1YTG - PRO ILE VAL NH2 n/a n/a
290 4FE6 Ki < 0.3 nM 0TQ C32 H42 N4 O8 S CC(C)CN(C[....
291 5BRY Ki = 0.0015 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
292 4DJQ Ki = 0.048 nM M86 C28 H40 N4 O7 S CC[C@H](C)....
293 1HXW Ki = 15 pM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
294 4HDB Ki = 8.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
295 1T7I - 017 C27 H37 N3 O7 S CC(C)C[N@@....
296 1KJG - GLY ALA GLU THR PHE TYR VAL ASP GLY ALA n/a n/a
297 4OBG - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
298 1AAQ Ki = 3 nM PSI C29 H47 N5 O7 C[C@@H](C(....
299 3NU9 Ki = 0.9 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
300 2QNQ Kd = 0.77 uM QN3 C30 H29 Cl2 N3 O4 S2 c1ccc(cc1)....
301 5DGU Ki = 0.0045 nM 5B7 C30 H42 N2 O9 S CC(C)CN(C[....
302 4A6C Ki = 4.2 nM QG9 C43 H51 N5 O6 CC(C)(C)[C....
303 5KQY Ki = 0.51 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
304 1MRX Kd = 55 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
305 2UY0 Ki = 120 nM HV1 C36 H43 Br N4 O7 CC(C)(C)[C....
306 2QD8 Ki = 0.85 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
307 1HVJ Ki = 4 pM A78 C44 H60 N8 O5 CC(C)[C@@H....
308 3EKY Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
309 1T7J Ka = 17000000000 M^-1 478 C25 H35 N3 O6 S CC(C)C[N@]....
310 1MES Ki = 20 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
311 3KDC Kd = 0.52 nM JZP C33 H35 Cl2 N3 O6 S CC1([C@H](....
312 3NUJ Ki = 0.41 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
313 2FLE Ki = 14 nM AI C44 H64 N8 O6 CC(C)[C@@H....
314 3HAW Kd = 1.01 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
315 3EKV Kd = 0.39 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
316 2QI4 Ki = 0.036 nM MZ6 C29 H33 N3 O5 S2 CC[C@H](C)....
317 4QJ6 - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
318 3GI4 Ki = 0.016 nM K60 C32 H34 F3 N3 O8 S CC(C)C[N@@....
319 4OBF - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
320 1GNN Ki = 2100 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
321 2WKZ Ki = 1.7 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
322 1ZSR Ki = 0.15 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
323 3BC4 Ki = 4.5 uM LLG C14 H15 N O2 c1ccc2c(c1....
324 2AOC Ki = 13 uM UNX 2NC n/a n/a
325 2ZGA Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
326 3BGB Ki = 0.9 uM LJG C24 H39 N5 O4 S2 CC(C)CN(CC....
327 2PK6 Kd = 13 pM O33 C40 H45 N5 O7 S2 CC1([C@H](....
328 4A6B Ki = 12 nM QG8 C44 H52 N4 O6 CC(C)(C)[C....
329 4DJR Ki = 0.003 nM 0KJ C28 H36 N4 O6 S2 CC[C@H](C)....
330 5KQX Ki = 3.6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
331 1A8G Ki = 7.4 nM 2Z4 C46 H59 N5 O9 CC(C)[C@@H....
332 1HIH Ki = 9 nM C20 C31 H51 N5 O5 CC(C)[C@@H....
333 1KZK Ki = 41 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
334 4Q1X Ki = 7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
335 2P3A Ki = 11 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
336 3OU3 - LEU ASN PHE PRO ILE SER PRO n/a n/a
337 2Q55 Ki = 2.04 nM MU0 C37 H45 N5 O6 CC(C)[C@@H....
338 1HTG ic50 = 3.8 nM G37 C42 H47 N7 O5 S CC1([C@@H]....
339 2PYN Ki = 7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
340 2NNK - ROC C38 H50 N6 O5 CC(C)(C)NC....
341 1HPV Ki = 0.6 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
342 1D4J Ki = 4.4 nM MSC C36 H36 Cl F N2 O7 c1ccc(cc1)....
343 4DQB - 017 C27 H37 N3 O7 S CC(C)C[N@@....
344 1A8K - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
345 3NYG - 2NC C35 H68 N11 O8 CCCC[C@@H]....
346 3D20 Ki = 5 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
347 1FEJ - 2NC C35 H68 N11 O8 CCCC[C@@H]....
348 1C6Z - ROC C38 H50 N6 O5 CC(C)(C)NC....
349 2F81 Ki = 0.03 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
350 1KJ7 - PRO ALA THR ILE MET MET GLN ARG GLY ASN n/a n/a
351 3KF0 - 4DX C7 H14 O C[C@H]1CCC....
352 3EL9 Kd = 4 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
353 1K2B - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
354 1ZP8 Ki = 1.7 nM AB2 C34 H41 N5 O7 S CC(C)CN(C[....
355 3JW2 - 017 C27 H37 N3 O7 S CC(C)C[N@@....
356 2O4K Kd = 35 pM DR7 C38 H52 N6 O7 CC(C)(C)[C....
357 1HPO Ki = 0.6 nM UNI C28 H28 N2 O5 S c1cc(cc(c1....
358 3LZV Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
359 3H5B ic50 = 26 nM 031 C30 H39 N3 O8 S COc1ccc(cc....
360 1AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
361 1EC3 Ki = 0.92 nM MS3 C42 H52 N6 O8 CC(C)[C@@H....
362 3EKP Kd = 1.3 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
363 4EJ8 Kd = 4.1 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
364 3I7E ic50 = 1.2 nM DJR C28 H38 N2 O8 S CC(C)C[N@@....
365 2O4S Kd = 31 pM AB1 C37 H48 N4 O5 Cc1cccc(c1....
366 4EJD Kd = 14.5 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
367 2Q54 Ki = 0.98 nM MU1 C37 H44 N4 O7 CC(C)[C@@H....
368 3KDD Kd = 3.45 nM JZQ C33 H35 F2 N3 O6 S CC1([C@H](....
369 2F80 Ki = 6.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
370 1TCX Ki = 112 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
371 5IVS ic50 = 6.1 nM 6EF C38 H42 N4 O6 COC(=O)N[C....
372 4QJ2 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
373 8HVP Ki < 1 nM VAL SER GLN ASN LOV ILE VAL n/a n/a
374 3TL9 - ROC C38 H50 N6 O5 CC(C)(C)NC....
375 3TLH Ki = 1.5 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
376 2QNN Ki = 0.07 uM QN1 C34 H31 F6 N5 O6 S2 c1cc(ccc1C....
377 3KFS - 3TL C50 H64 N6 O10 C[C@@H](C(....
378 1M0B Ki = 1.53 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
379 2Q63 Ki = 9.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
380 4QGI - ROC C38 H50 N6 O5 CC(C)(C)NC....
381 1D4Y Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
382 5KAO - G43 C29 H39 Cl N2 O9 S CC(C)CN(C[....
383 1SGU Ki = 4235 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
384 1A30 Ki = 50 uM GLU ASP LEU n/a n/a
385 2QI3 Ki = 0.063 nM MZ5 C27 H37 N3 O5 S2 CC[C@H](C)....
386 4EYR ic50 = 237 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
387 3D1Y Ki = 6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
388 2PYM Ki = 18 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
389 4U8W Ki = 0.0058 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
390 2A4F - AAU C36 H39 N3 O8 COc1cc(ccc....
391 3B80 - ASN LEU LNT GLN ILE n/a n/a
392 4DQE - 017 C27 H37 N3 O7 S CC(C)C[N@@....
393 5KR1 Ki = 0.32 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
394 2I4W Ki = 2.6 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
395 3OUA - GLY ASN PHE LEU GLN SER ARG n/a n/a
396 2R3W Ki = 0.128 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
397 3TKG - ROC C38 H50 N6 O5 CC(C)(C)NC....
398 3GI5 Ki = 0.006 nM K62 C33 H37 N3 O9 S CC(C)C[N@@....
399 1BWB Ki = 3.8 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
400 4K4Q - 06B C9 H9 Br O4 COc1ccc(c(....
401 1WBK - 568 C34 H40 N2 O9 c1ccc(cc1)....
402 3EKT Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
403 1C6Y Ki = 0.31 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
404 2O4L Kd = 608 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
405 3OXC Ki = 0.8 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
406 3BVA Ka = 31.7 M^-1 2NC C35 H68 N11 O8 CCCC[C@@H]....
407 1MSM Kd = 33 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
408 2AZB ic50 = 64 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
409 4I8W Ki = 12.7 pM G07 C28 H36 N2 O9 S CC(C)CN(C[....
410 2CEM Ki = 12 nM 2AH C39 H45 N5 O6 CC(C)(C)[C....
411 4CPX - V78 C40 H55 N5 O6 S CC(C)[C@H]....
412 4GYE - ILO VAL PUK GLU ALA NLE n/a n/a
413 1B6M Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
414 5ULT Ki = 0.014 nM 8FM C30 H40 N2 O8 S CC(C)CN(C[....
415 2WL0 Ki = 16 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
416 1HEF Ki = 1 nM ALA ALA PJJ VAL VME n/a n/a
417 4TVG - IVA VAL VAL STA ALA STA n/a n/a
418 1F7A - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
419 3LZU Kd = 0.087 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
420 4OBK - ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO n/a n/a
421 3TH9 Ki = 20 nM 9Y9 C25 H33 F N2 O5 S C[C@H]1Cc2....
422 3NUO Ki = 0.16 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
423 3KFP - 3TL C50 H64 N6 O10 C[C@@H](C(....
424 2O4P Kd = 19 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
425 3A2O Ki = 0.83 nM KNJ C30 H40 N4 O5 S Cc1cc(cc(c....
426 1BV9 Ki = 1.1 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
427 1HVL Ki = 1000 pM A76 C44 H58 N8 O6 CC(C)[C@@H....
428 3OUC - THR ILE MET MET GLN ARG GLY n/a n/a
429 1K1T - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
430 1XL2 Ki = 1.5 uM 189 C33 H43 N3 O4 S Cc1cccc(c1....
431 1ODY Ki = 8 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
432 2PK5 Kd = 20 pM 075 C40 H45 N5 O9 S2 CC1([C@H](....
433 2CEJ Ki = 2.4 nM 1AH C34 H41 Br N4 O6 CC(C)(C)[C....
434 3PWR - ROC C38 H50 N6 O5 CC(C)(C)NC....
435 1FF0 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
436 4OBD - ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO n/a n/a
437 3I6O ic50 = 7 nM GR6 C32 H42 N2 O9 S COc1ccc2c(....
438 1TSQ - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
439 1MEU Ki = 0.8 uM DMP C35 H38 N2 O5 c1ccc(cc1)....
440 2FXE - DR7 C38 H52 N6 O7 CC(C)(C)[C....
441 1HOS Ki = 2.8 nM PHP C42 H51 N4 O8 P CC(C)[C@@H....
442 1MT7 - VAL SER GLN ASN TYR PRO ILE VAL GLN ASN n/a n/a
443 1HVS Ki = 50 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
444 3R0Y ic50 = 14.53 uM RSZ C34 H39 N5 O5 CC(C)[C@@H....
445 1FGC - 2NC C35 H68 N11 O8 CCCC[C@@H]....
446 4CPT Ki = 20 nM 1T8 C41 H54 N6 O6 CC(C)[C@H]....
447 1DIF Ki = 22 pM A85 C44 H56 F2 N8 O6 CC(C)[C@@H....
448 1D4L Ki = 1.7 nM PI9 C32 H48 N4 O6 S CC(C)CC[N@....
449 4OBH - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
450 3KFR - 3TL C50 H64 N6 O10 C[C@@H](C(....
451 2I0A Ki = 0.004 nM MUI C33 H39 N3 O8 S CC(C)C[N@@....
452 1EC1 Ki = 1.2 nM BEE C40 H50 N4 O8 S2 CC(C)[C@@H....
453 1ZSF Ki = 0.12 nM 0ZS C38 H49 N5 O8 CC(C)(C)OC....
454 2FGU Kd = 0.66 nM QNC ASN HPH DIQ NTB n/a n/a
455 3NU3 Ki = 0.15 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
456 2FNT - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
457 1KJH - ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE n/a n/a
458 3S54 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
459 2PSU Ki = 24 nM MUU C26 H35 N3 O6 S CNC(=O)CCC....
460 4K4P - 3TL C50 H64 N6 O10 C[C@@H](C(....
461 2AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
462 5AH7 - C7J C27 H36 Cl N3 O7 S CC(C)CN(CC....
463 3GGA - GGW C39 H53 N5 O7 CC(C)(C)[C....
464 3BXR Ki = 0.8 uM DRR C37 H51 N5 O7 CC[C@H](C)....
465 1KJF - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
466 1SBG Ki = 18 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
467 2NMZ - ROC C38 H50 N6 O5 CC(C)(C)NC....
468 3DJK Ki = 26 pM G55 C27 H38 N2 O8 S CC(C)C[N@@....
469 4DFG Ki = 1.8 pM 0JV C31 H43 N3 O9 S CC(C)CN(C[....
470 1EC2 Ki = 0.1 nM BEJ C42 H52 N6 O8 CC(C)[C@@H....
471 1YTH - ACE SER LEU ASN PHE n/a n/a
472 3HDK Kd = 17.5 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
70% Homology Family (495)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4HEG Ki = 1.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
2 1MER Ki = 10 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
3 4HLA - 017 C27 H37 N3 O7 S CC(C)C[N@@....
4 3TKW - 017 C27 H37 N3 O7 S CC(C)C[N@@....
5 4COE Ki = 65 nM M17 C44 H59 N5 O6 CC(C)[C@@H....
6 1HVR Ki = 0.31 nM XK2 C41 H38 N2 O3 c1ccc(cc1)....
7 2BPV Ki = 21.2 nM 1IN C35 H51 N5 O5 C[C@H]1CC[....
8 1G35 Ki = 7.3 nM AHF C35 H40 N2 O9 S COC(c1ccc(....
9 2QI5 Ki = 0.014 nM MZ7 C29 H40 N4 O5 S2 CCCCC[N@@]....
10 4K4R - 3TL C50 H64 N6 O10 C[C@@H](C(....
11 3CKT Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
12 2AVS Ki = 27 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
13 2IDW Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
14 2I4V Kd = 9.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
15 1NPV ic50 = 5.7 nM L27 C35 H37 N3 O6 c1ccc(cc1)....
16 1HIV Ki < 1 nM 1ZK C45 H62 N7 O7 CC[C@H](C)....
17 4I8Z Ki = 8.9 pM G08 C28 H37 N3 O8 S CC(C)CN(C[....
18 2F3K Kd = 0.95 nM RO1 C37 H53 N5 O7 S CC(C)(C)NC....
19 4ZIP Ki = 0.21 nM G64 C37 H46 N4 O7 S Cc1cc(cc(c....
20 3R4B - 74T C38 H53 N5 O7 S2 CC(C)C[N@@....
21 1AJV Ki = 19.1 nM NMB C32 H34 N2 O6 S c1ccc(cc1)....
22 4U7V Ki = 3.2 uM 3EN C28 H36 N4 O4 S CC(C)[C@@H....
23 1GNM Ki = 560 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
24 3KDB Kd = 0.14 nM 006 C35 H41 N3 O6 S Cc1cccc(c1....
25 1B6K Ki = 1.8 nM PI5 C37 H53 N5 O7 CC[C@H](C)....
26 4DQF - 017 C27 H37 N3 O7 S CC(C)C[N@@....
27 1QBT Ki = 0.024 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
28 5COO - 52Z C30 H42 N2 O10 S CC(C)CN(C[....
29 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
30 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
31 4FLG - GLN ILE ILE n/a n/a
32 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
33 4CPU Ki = 29.5 nM V78 C40 H55 N5 O6 S CC(C)[C@H]....
34 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
35 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
36 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
37 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
38 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
39 3B7V - ASN LEU LNT GLN ILE n/a n/a
40 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
41 1B6J Ki = 12 nM PI1 C34 H53 N7 O8 CC[C@H](C)....
42 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
43 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
44 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
45 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
46 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
47 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
48 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
49 5JFU Ki = 8.5 nM 6KQ C35 H46 N2 O8 S COc1ccc(cc....
50 4GZF ic50 = 142 nM ILO VAL DC0 GLU ALA NLE n/a n/a
51 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
52 5IVQ - 6EH C24 H31 N3 O4 COC(=O)N[C....
53 4CPQ - 9MW C43 H58 N6 O6 CC(C)[C@@H....
54 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
55 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
56 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
57 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
58 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
59 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
60 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
61 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
62 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
63 4CPW - V78 C40 H55 N5 O6 S CC(C)[C@H]....
64 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
65 4LL3 Kd = 2.7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
66 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
67 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
68 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
69 1FG6 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
70 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
71 3HBO Kd = 8.2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
72 4HE9 Ki = 3.5 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
73 1BV7 Ki = 0.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
74 1HPS Ki = 0.6 nM RUN C38 H46 N4 O5 CC(C)[C@@H....
75 2I4U Ki = 2.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
76 5AH9 - C7L C30 H43 N3 O9 S CC(C)CN(C[....
77 5IVR - 6EG C34 H38 N4 O4 COC(=O)N[C....
78 4EJL Kd = 7.2 uM IOP C11 H11 N O2 c1ccc2c(c1....
79 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
80 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
81 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
82 5COK - 52U C29 H40 N2 O8 S CC(C)CN(C[....
83 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
84 5JG1 Ki = 1.9 nM 6KR C33 H50 N2 O8 S CC(C)CN(C[....
85 2NNP - ROC C38 H50 N6 O5 CC(C)(C)NC....
86 3KFN - 4DX C7 H14 O C[C@H]1CCC....
87 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
88 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
89 1VIK Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
90 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
91 2I4X Kd = 9.7 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
92 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
93 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
94 4OBJ - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
95 1FFI - 2NC C35 H68 N11 O8 CCCC[C@@H]....
96 4CPR Ki = 35 nM 378 C42 H57 N5 O6 S CC(C)[C@@H....
97 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
98 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
99 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
100 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
101 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
102 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
103 5KR2 Ki = 3.3 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
104 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
105 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
106 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co [B@H]12[BH....
107 2NXM Kd = 0.54 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
108 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
109 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
110 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
111 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
112 5COP - 53F C29 H41 N3 O9 S CC(C)CN(C[....
113 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
114 4ZLS Ki = 0.82 nM G61 C34 H46 N2 O8 S CC(C)CN(C[....
115 5BS4 Ki = 0.0099 nM 4UX C28 H40 N4 O7 S CC(C)CN(C[....
116 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
117 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co [B@H]12[BH....
118 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
119 4CP7 Ki = 7.8 nM 9MW C43 H58 N6 O6 CC(C)[C@@H....
120 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
121 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
122 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
123 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
124 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
125 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
126 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
127 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
128 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
129 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
130 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
131 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
132 4QJA - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
133 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
134 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
135 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
136 4Q1W Ki = 2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
137 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
138 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
139 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
140 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
141 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
142 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
143 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
144 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
145 1K2C - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
146 1ODX - 0E8 C30 H45 N3 O6 CC(C)(C)OC....
147 4QJ9 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
148 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
149 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
150 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
151 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
152 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
153 2Q64 Ki = 0.07 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
154 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
155 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
156 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
157 5JFP Ki = 0.48 nM 6KK C32 H48 N2 O8 S CC(C)CN(C[....
158 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
159 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
160 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
161 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
162 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
163 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
164 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
165 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
166 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
167 1FFF - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
168 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
169 5DGW Ki = 0.009 nM 5B5 C31 H45 N3 O8 S CCN[C@H]1C....
170 1NH0 Ki ~ 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
171 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 CC(C)(C)OC....
172 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
173 4U7Q Ki = 180 pM 3EM C43 H51 N5 O8 S CCN(CC)c1c....
174 1BDQ Ki = 460 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
175 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
176 4CPS - 1T8 C41 H54 N6 O6 CC(C)[C@H]....
177 2NMY - ROC C38 H50 N6 O5 CC(C)(C)NC....
178 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
179 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
180 1DAZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
181 2AZC ic50 = 183 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
182 5CON - 52W C29 H40 N2 O9 S CC(C)CN(C[....
183 4QJ8 - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
184 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
185 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
186 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
187 1MTB - QNC ASN HPH DIQ NTB n/a n/a
188 1FG8 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
189 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
190 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
191 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
192 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
193 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
194 2IEN Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
195 1SP5 - TYR ASP GLN ILE LEU n/a n/a
196 5IVT ic50 = 0.8 nM 6EE C30 H30 Cl F6 N5 O4 c1cc(ccc1[....
197 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
198 1VIJ Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
199 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
200 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
201 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
202 3CYX Ki = 10 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
203 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
204 1EBK - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
205 5UOV Ki = 0.025 nM 8FP C37 H44 N4 O6 S2 Cc1csc(n1)....
206 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
207 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
208 5UPZ Ki = 0.63 nM 8HD C35 H42 N4 O7 S Cc1coc(n1)....
209 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
210 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
211 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
212 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
213 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
214 1K1U - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
215 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
216 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
217 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
218 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
219 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
220 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
221 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
222 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
223 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
224 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
225 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
226 1DW6 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
227 1BWA Ki = 2.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
228 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
229 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
230 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
231 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
232 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
233 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
234 3NWX - KVS C36 H66 N10 O10 [H]/N=C(\N....
235 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
236 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
237 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
238 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
239 2J9K - 2NC C35 H68 N11 O8 CCCC[C@@H]....
240 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
241 2NPH - TYR VAL ASP GLY ALA n/a n/a
242 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
243 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
244 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
245 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
246 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
247 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
248 5KQZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
249 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
250 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
251 3BVB Ka = 3300000 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
252 5KR0 Ki = 0.71 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
253 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
254 2NXL Kd = 6.2 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
255 4TVH - 3TL C50 H64 N6 O10 C[C@@H](C(....
256 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
257 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
258 7HVP Ki = 0.24 nM ACE SER LEU ASN JG3 ILE VME n/a n/a
259 2R5P Ki = 3.3 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
260 1LZQ Ki = 4.1 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
261 1A94 Ki = 14 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
262 1HVK Ki = 77 pM A79 C44 H58 N8 O6 CC(C)[C@@H....
263 2R38 Ki = 0.036 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
264 3BXS Ki = 8 uM DRS C19 H26 N2 O5 CC(C)[C@H]....
265 2QD7 Ki = 0.8 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
266 3DK1 Ki = 0.18 nM G05 C29 H40 N2 O8 S CC(C)C[N@@....
267 2BB9 ic50 = 0.44 nM AKC C36 H39 N3 O7 CCOCCOC(=O....
268 1HEG Ki = 18 nM PSI C29 H47 N5 O7 C[C@@H](C(....
269 4FL8 - GLN ILE IL0 ILE GLU ILE ALA n/a n/a
270 4Q1Y Ki = 45 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
271 2FGV Kd = 760 nM QNC ASN HPH DIQ NTB n/a n/a
272 1EC0 Ki = 3.2 nM BED C38 H38 F2 N2 O8 c1ccc2c(c1....
273 1K6C Kd = 33 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
274 1MSN Kd = 81 nM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
275 2PSV Ki = 58 nM MUV C23 H31 N3 O6 S CNC(=O)CCC....
276 1DMP Ki = 0.28 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
277 2QNP Ki = 0.39 uM QN2 C30 H29 I2 N3 O4 S2 c1ccc(cc1)....
278 3S53 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
279 1HXB Ki = 0.12 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
280 1HSG Ki = 2.45 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
281 1IIQ Ki = 33 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
282 2AZ8 ic50 = 6 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
283 4QJ7 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
284 2QI1 Ki = 50 nM MZ4 C29 H30 N2 O7 S2 COc1cccc(c....
285 1RL8 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
286 2AVO Ki = 1.4 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
287 3NU6 Ki = 0.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
288 3DCR ic50 = 6.3 nM KVS C36 H66 N10 O10 [H]/N=C(\N....
289 1YTG - PRO ILE VAL NH2 n/a n/a
290 4FE6 Ki < 0.3 nM 0TQ C32 H42 N4 O8 S CC(C)CN(C[....
291 5BRY Ki = 0.0015 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
292 4DJQ Ki = 0.048 nM M86 C28 H40 N4 O7 S CC[C@H](C)....
293 1HXW Ki = 15 pM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
294 4HDB Ki = 8.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
295 1T7I - 017 C27 H37 N3 O7 S CC(C)C[N@@....
296 1KJG - GLY ALA GLU THR PHE TYR VAL ASP GLY ALA n/a n/a
297 4OBG - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
298 1AAQ Ki = 3 nM PSI C29 H47 N5 O7 C[C@@H](C(....
299 3NU9 Ki = 0.9 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
300 2QNQ Kd = 0.77 uM QN3 C30 H29 Cl2 N3 O4 S2 c1ccc(cc1)....
301 5DGU Ki = 0.0045 nM 5B7 C30 H42 N2 O9 S CC(C)CN(C[....
302 4A6C Ki = 4.2 nM QG9 C43 H51 N5 O6 CC(C)(C)[C....
303 5KQY Ki = 0.51 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
304 1MRX Kd = 55 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
305 2UY0 Ki = 120 nM HV1 C36 H43 Br N4 O7 CC(C)(C)[C....
306 2QD8 Ki = 0.85 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
307 1HVJ Ki = 4 pM A78 C44 H60 N8 O5 CC(C)[C@@H....
308 3EKY Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
309 1T7J Ka = 17000000000 M^-1 478 C25 H35 N3 O6 S CC(C)C[N@]....
310 1MES Ki = 20 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
311 3KDC Kd = 0.52 nM JZP C33 H35 Cl2 N3 O6 S CC1([C@H](....
312 3NUJ Ki = 0.41 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
313 2FLE Ki = 14 nM AI C44 H64 N8 O6 CC(C)[C@@H....
314 3HAW Kd = 1.01 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
315 3EKV Kd = 0.39 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
316 2QI4 Ki = 0.036 nM MZ6 C29 H33 N3 O5 S2 CC[C@H](C)....
317 4QJ6 - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
318 3GI4 Ki = 0.016 nM K60 C32 H34 F3 N3 O8 S CC(C)C[N@@....
319 4OBF - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
320 1GNN Ki = 2100 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
321 2WKZ Ki = 1.7 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
322 1ZSR Ki = 0.15 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
323 3BC4 Ki = 4.5 uM LLG C14 H15 N O2 c1ccc2c(c1....
324 2AOC Ki = 13 uM UNX 2NC n/a n/a
325 2ZGA Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
326 3BGB Ki = 0.9 uM LJG C24 H39 N5 O4 S2 CC(C)CN(CC....
327 2PK6 Kd = 13 pM O33 C40 H45 N5 O7 S2 CC1([C@H](....
328 4A6B Ki = 12 nM QG8 C44 H52 N4 O6 CC(C)(C)[C....
329 4DJR Ki = 0.003 nM 0KJ C28 H36 N4 O6 S2 CC[C@H](C)....
330 5KQX Ki = 3.6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
331 1A8G Ki = 7.4 nM 2Z4 C46 H59 N5 O9 CC(C)[C@@H....
332 1HIH Ki = 9 nM C20 C31 H51 N5 O5 CC(C)[C@@H....
333 1KZK Ki = 41 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
334 4Q1X Ki = 7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
335 2P3A Ki = 11 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
336 3OU3 - LEU ASN PHE PRO ILE SER PRO n/a n/a
337 2Q55 Ki = 2.04 nM MU0 C37 H45 N5 O6 CC(C)[C@@H....
338 1HTG ic50 = 3.8 nM G37 C42 H47 N7 O5 S CC1([C@@H]....
339 2PYN Ki = 7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
340 2NNK - ROC C38 H50 N6 O5 CC(C)(C)NC....
341 1HPV Ki = 0.6 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
342 1D4J Ki = 4.4 nM MSC C36 H36 Cl F N2 O7 c1ccc(cc1)....
343 4DQB - 017 C27 H37 N3 O7 S CC(C)C[N@@....
344 1A8K - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
345 3NYG - 2NC C35 H68 N11 O8 CCCC[C@@H]....
346 3D20 Ki = 5 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
347 1FEJ - 2NC C35 H68 N11 O8 CCCC[C@@H]....
348 1C6Z - ROC C38 H50 N6 O5 CC(C)(C)NC....
349 2F81 Ki = 0.03 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
350 1KJ7 - PRO ALA THR ILE MET MET GLN ARG GLY ASN n/a n/a
351 3KF0 - 4DX C7 H14 O C[C@H]1CCC....
352 3EL9 Kd = 4 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
353 1K2B - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
354 1ZP8 Ki = 1.7 nM AB2 C34 H41 N5 O7 S CC(C)CN(C[....
355 3JW2 - 017 C27 H37 N3 O7 S CC(C)C[N@@....
356 2O4K Kd = 35 pM DR7 C38 H52 N6 O7 CC(C)(C)[C....
357 1HPO Ki = 0.6 nM UNI C28 H28 N2 O5 S c1cc(cc(c1....
358 3LZV Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
359 3H5B ic50 = 26 nM 031 C30 H39 N3 O8 S COc1ccc(cc....
360 1AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
361 1EC3 Ki = 0.92 nM MS3 C42 H52 N6 O8 CC(C)[C@@H....
362 3EKP Kd = 1.3 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
363 4EJ8 Kd = 4.1 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
364 3I7E ic50 = 1.2 nM DJR C28 H38 N2 O8 S CC(C)C[N@@....
365 2O4S Kd = 31 pM AB1 C37 H48 N4 O5 Cc1cccc(c1....
366 4EJD Kd = 14.5 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
367 2Q54 Ki = 0.98 nM MU1 C37 H44 N4 O7 CC(C)[C@@H....
368 3KDD Kd = 3.45 nM JZQ C33 H35 F2 N3 O6 S CC1([C@H](....
369 2F80 Ki = 6.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
370 1TCX Ki = 112 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
371 5IVS ic50 = 6.1 nM 6EF C38 H42 N4 O6 COC(=O)N[C....
372 4QJ2 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
373 8HVP Ki < 1 nM VAL SER GLN ASN LOV ILE VAL n/a n/a
374 3TL9 - ROC C38 H50 N6 O5 CC(C)(C)NC....
375 3TLH Ki = 1.5 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
376 2QNN Ki = 0.07 uM QN1 C34 H31 F6 N5 O6 S2 c1cc(ccc1C....
377 3KFS - 3TL C50 H64 N6 O10 C[C@@H](C(....
378 1M0B Ki = 1.53 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
379 2Q63 Ki = 9.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
380 4QGI - ROC C38 H50 N6 O5 CC(C)(C)NC....
381 1D4Y Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
382 5KAO - G43 C29 H39 Cl N2 O9 S CC(C)CN(C[....
383 1SGU Ki = 4235 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
384 1A30 Ki = 50 uM GLU ASP LEU n/a n/a
385 2QI3 Ki = 0.063 nM MZ5 C27 H37 N3 O5 S2 CC[C@H](C)....
386 4EYR ic50 = 237 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
387 3D1Y Ki = 6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
388 2PYM Ki = 18 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
389 4U8W Ki = 0.0058 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
390 2A4F - AAU C36 H39 N3 O8 COc1cc(ccc....
391 3B80 - ASN LEU LNT GLN ILE n/a n/a
392 4DQE - 017 C27 H37 N3 O7 S CC(C)C[N@@....
393 5KR1 Ki = 0.32 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....