Receptor
PDB id Resolution Class Description Source Keywords
6OYR 1.54 Å EC: 3.4.23.16 X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPL GRL-002 HUMAN IMMUNODEFICIENCY VIRUS 1 INHIBITOR VIRAL PROTEIN VIRAL PROTEIN-INHIBITOR COMPLEX
Ref.: SINGLE ATOM CHANGES IN NEWLY SYNTHESIZED HIV PROTEA INHIBITORS REVEAL STRUCTURAL BASIS FOR EXTREME AFFI HIGH GENETIC BARRIER, AND ADAPTATION TO THE HIV PRO PLASTICITY. SCI REP V. 10 10664 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NJY A:101;
Valid;
none;
ic50 = 0.29 nM
674.78 C33 H43 F N4 O8 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C8X 1.61 Å EC: 3.4.23.16 WILD-TYPE HIV-1 PROTEASE IN COMPLEX WITH A PHENYLBORONIC ACI ANALOG OF DARUNAVIR HUMAN IMMUNODEFICIENCY VIRUS 1 HIV PROTEASE BORONIC ACID INHIBITOR HYDROLASE-HYDROLASE COMPLEX
Ref.: SUB-PICOMOLAR INHIBITION OF HIV-1 PROTEASE WITH A B ACID. J. AM. CHEM. SOC. V. 140 14015 2018
Members (559)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 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 6B3H - CN4 C30 H32 F3 N3 O3 S c1cc(c(c(c....
4 4HLA - 017 C27 H37 N3 O7 S CC(C)C[N@@....
5 3TKW - 017 C27 H37 N3 O7 S CC(C)C[N@@....
6 4COE Ki = 65 nM M17 C44 H59 N5 O6 CC(C)[C@@H....
7 1HVR Ki = 0.31 nM XK2 C41 H38 N2 O3 c1ccc(cc1)....
8 2BPV Ki = 21.2 nM 1IN C35 H51 N5 O5 C[C@H]1CC[....
9 1G35 Ki = 7.3 nM AHF C35 H40 N2 O9 S COC(c1ccc(....
10 2QI5 Ki = 0.014 nM MZ7 C29 H40 N4 O5 S2 CCCCC[N@@]....
11 6IXD Ki = 0.16 nM B0F C45 H56 N6 O8 S2 Cc1cc(cc(c....
12 4K4R - 3TL C50 H64 N6 O10 C[C@@H](C(....
13 6MCS - JDV C33 H41 F N4 O7 S2 CC(C)CN(C[....
14 3CKT Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
15 6OXO - NJM C28 H38 N2 O8 S CC(C)CN(C[....
16 2AVS Ki = 27 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
17 2IDW Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
18 2I4V Ki = 6.3 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
19 1NPV ic50 = 5.7 nM L27 C35 H37 N3 O6 c1ccc(cc1)....
20 1HIV Ki < 1 nM 1ZK C45 H62 N7 O7 CC[C@H](C)....
21 4I8Z Ki = 8.9 pM G08 C28 H37 N3 O8 S CC(C)CN(C[....
22 2F3K Kd = 0.95 nM RO1 C37 H53 N5 O7 S CC(C)(C)NC....
23 4ZIP Ki = 0.21 nM G64 C37 H46 N4 O7 S Cc1cc(cc(c....
24 3R4B - 74T C38 H53 N5 O7 S2 CC(C)C[N@@....
25 1AJV Ki = 19.1 nM NMB C32 H34 N2 O6 S c1ccc(cc1)....
26 4U7V Ki = 3.2 uM 3EN C28 H36 N4 O4 S CC(C)[C@@H....
27 6DJ7 Ki = 1.9 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
28 1GNM Ki = 560 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
29 3KDB Kd = 0.14 nM 006 C35 H41 N3 O6 S Cc1cccc(c1....
30 6DH8 Ki = 146.2 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
31 1B6K Ki = 1.8 nM PI5 C37 H53 N5 O7 CC[C@H](C)....
32 4DQF - 017 C27 H37 N3 O7 S CC(C)C[N@@....
33 1QBT Ki = 0.024 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
34 5COO - 52Z C30 H42 N2 O10 S CC(C)CN(C[....
35 6PJF Ki = 0.235 nM OP7 C34 H45 N3 O8 COC(=O)N[C....
36 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
37 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
38 6E9A Ki = 0.0012 nM J0S C28 H37 N3 O8 S CC(C)CN(C[....
39 4FLG - GLN ILE ILE n/a n/a
40 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
41 6CDJ Ki = 2 pM GR8 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
42 4CPU Ki = 29.5 nM V78 C40 H55 N5 O6 S CC(C)[C@H]....
43 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
44 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
45 6OXR - NJA C29 H40 N2 O8 S C[C@@H](c1....
46 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
47 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
48 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
49 3B7V - ASN LEU LNT GLN ILE n/a n/a
50 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
51 1B6J Ki = 12 nM ASN RTY PRO ILE VAL NH2 n/a n/a
52 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
53 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
54 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
55 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
56 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
57 6DH5 - A60 C29 H41 N3 O7 S CCC(CC)C[N....
58 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
59 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
60 5JFU Ki = 8.5 nM 6KQ C35 H46 N2 O8 S COc1ccc(cc....
61 4GZF ic50 = 4.4 nM ILO VAL DC0 GLU ALA NLE n/a n/a
62 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
63 5IVQ - 6EH C24 H31 N3 O4 COC(=O)N[C....
64 4CPQ - 9MW C43 H58 N6 O6 CC(C)[C@@H....
65 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
66 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
67 6B3F - CKV C34 H34 F3 N3 O3 S C[C@H]1CN(....
68 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
69 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
70 6OXW - NFJ C31 H44 N2 O8 S CCC(CC)CN(....
71 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
72 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
73 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
74 6DGX Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
75 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
76 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
77 4CPW - V78 C40 H55 N5 O6 S CC(C)[C@H]....
78 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
79 4LL3 Kd = 2.7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
80 6OOT - 017 C27 H37 N3 O7 S CC(C)C[N@@....
81 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
82 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
83 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
84 1FG6 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
85 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
86 4HE9 Ki = 3.5 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
87 6OY0 - NJ7 C30 H42 N2 O9 S CC[C@H](C)....
88 1BV7 Ki = 0.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
89 1HPS Ki = 0.6 nM RUN C38 H46 N4 O5 CC(C)[C@@H....
90 6O48 Ki = 75 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
91 2I4U Ki = 2.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
92 5AH9 - C7L C30 H43 N3 O9 S CC(C)CN(C[....
93 5IVR - 6EG C34 H38 N4 O4 COC(=O)N[C....
94 6DH0 Ki = 25.6 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
95 4EJL Kd = 7.2 uM IOP C11 H11 N O2 c1ccc2c(c1....
96 6KMP - KVS C36 H68 N10 O10 [H]/N=C(N)....
97 6PJL Ki = 0.027 nM OQA C33 H45 N3 O8 CC[C@@H](C....
98 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
99 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
100 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
101 5COK - 52U C29 H40 N2 O8 S CC(C)CN(C[....
102 6PJG Ki = 0.019 nM ORV C30 H39 N3 O8 C[C@@H](C(....
103 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
104 5JG1 Ki = 1.9 nM 6KR C33 H50 N2 O8 S CC(C)CN(C[....
105 6OXZ - NJG C30 H42 N2 O9 S CC[C@H](C)....
106 2NNP - ROC C38 H50 N6 O5 CC(C)(C)NC....
107 3KFN - 4DX C7 H14 O C[C@H]1CCC....
108 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
109 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
110 6DV0 Ki = 0.38 nM GA8 C36 H47 N3 O7 S2 CC(C)CN(C[....
111 1VIK ic50 = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
112 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
113 2I4X Ki = 1.9 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
114 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
115 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
116 4OBJ - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
117 1FFI - 2NC C35 H68 N11 O8 CCCC[C@@H]....
118 4CPR Ki = 35 nM 378 C42 H57 N5 O6 S CC(C)[C@@H....
119 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
120 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
121 6OXQ - F53 C30 H42 N2 O8 S CCC(CC)C[N....
122 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
123 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
124 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
125 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
126 5KR2 Ki = 3.3 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
127 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
128 6VCE ic50 = 79 pM G6R C34 H42 F2 N4 O6 S2 CC(C)CN(C[....
129 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
130 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co [B@H]12[BH....
131 2NXM Kd = 6.4 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
132 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
133 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
134 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
135 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
136 5COP - 53F C29 H41 N3 O9 S CC(C)CN(C[....
137 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
138 4ZLS Ki = 0.82 nM G61 C34 H46 N2 O8 S CC(C)CN(C[....
139 5BS4 Ki = 0.0099 nM 4UX C28 H40 N4 O7 S CC(C)CN(C[....
140 6D0D - FQ4 C29 H39 F N2 O8 S CC(C)CN(C[....
141 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
142 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co [B@H]12[BH....
143 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
144 6DJ5 - G52 C30 H40 N2 O9 S CC(C)C[N@@....
145 4CP7 Ki = 7.8 nM 9MW C43 H58 N6 O6 CC(C)[C@@H....
146 6PJK Ki = 0.055 nM OQD C33 H45 N3 O8 CC[C@H](C)....
147 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
148 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
149 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
150 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
151 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
152 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
153 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
154 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
155 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
156 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
157 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
158 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
159 4QJA - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
160 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
161 6PJD Ki = 0.018 nM OQY C33 H45 N3 O8 CC(C)(C)[C....
162 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
163 6B36 - CKD C33 H32 F3 N3 O3 S c1ccc(cc1)....
164 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
165 4Q1W Ki = 2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
166 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
167 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
168 6DGY Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
169 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
170 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
171 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
172 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
173 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
174 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
175 1K2C - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
176 1ODX - 0E8 C30 H45 N3 O6 CC(C)(C)OC....
177 4QJ9 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
178 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
179 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
180 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
181 6OXT - NEJ C30 H42 N2 O8 S CC[C@H](C)....
182 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
183 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
184 6DJ2 Ki = 4.5 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
185 6BZ2 Ki = 14 pM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
186 2Q64 Kd = 3 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
187 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
188 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
189 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
190 5JFP Ki = 0.48 nM 6KK C32 H48 N2 O8 S CC(C)CN(C[....
191 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
192 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
193 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
194 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
195 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
196 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
197 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
198 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
199 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
200 1FFF - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
201 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
202 5DGW Ki = 0.009 nM 5B5 C31 H45 N3 O8 S CCN[C@H]1C....
203 6OY2 - NJJ C31 H44 N2 O9 S CCC(CC)CN(....
204 6PJH Ki = 0.074 nM OQG C32 H43 N3 O8 CC(C)[C@@H....
205 1NH0 Ki = 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
206 6U7P - B4R C28 H39 B N2 O9 S B(c1ccc(cc....
207 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 CC(C)(C)OC....
208 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
209 4U7Q Ki = 180 pM 3EM C43 H51 N5 O8 S CCN(CC)c1c....
210 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
211 6DIL Ki = 7.6 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
212 4CPS - 1T8 C41 H54 N6 O6 CC(C)[C@H]....
213 2NMY - ROC C38 H50 N6 O5 CC(C)(C)NC....
214 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
215 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
216 1DAZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
217 5CON - 52W C29 H40 N2 O9 S CC(C)CN(C[....
218 4QJ8 - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
219 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
220 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
221 6OGP ic50 = 0.055 uM MJD C33 H42 F2 N4 O8 S CC(C)CN(C[....
222 6OXP - K2A C29 H40 N2 O8 S CC[C@H](C)....
223 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
224 1MTB - QNC ASN HPH DIQ NTB n/a n/a
225 1FG8 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
226 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
227 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
228 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
229 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
230 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
231 6DV4 Ki = 1.6 nM GA5 C37 H49 N3 O8 S CC(C)CN(C[....
232 2IEN Ki = 1 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
233 6DH2 Ki = 12.8 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
234 1SP5 - TYR ASP GLN ILE LEU n/a n/a
235 5IVT ic50 = 0.8 nM 6EE C30 H30 Cl F6 N5 O4 c1cc(ccc1[....
236 6C8X Ki = 0.5 pM BVR C27 H36 B N2 O9 S B(=O)(c1cc....
237 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
238 1VIJ ic50 = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
239 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
240 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
241 6E7J Ki = 0.33 nM HWY C34 H41 N3 O8 S CC(C)CN(C[....
242 6MCR - JDY C33 H41 F N4 O7 S2 CC(C)CN(C[....
243 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
244 6PU8 - P3V C27 H37 N3 O8 S CC(C)CN(CC....
245 3CYX Ki = 10 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
246 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
247 1EBK - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
248 5UOV Ki = 0.025 nM 8FP C37 H44 N4 O6 S2 Cc1csc(n1)....
249 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
250 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
251 5UPZ Ki = 0.63 nM 8HD C35 H42 N4 O7 S Cc1coc(n1)....
252 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
253 6OTG Ki = 31.4 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
254 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
255 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
256 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
257 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
258 1K1U - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
259 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
260 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
261 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
262 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
263 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
264 6OXS - NJ4 C29 H40 N2 O8 S C[C@H](c1c....
265 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
266 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
267 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
268 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
269 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
270 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
271 1DW6 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
272 1BWA Ki = 2.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
273 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
274 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
275 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
276 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
277 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
278 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
279 3NWX - KVS C36 H68 N10 O10 [H]/N=C(N)....
280 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
281 6VOD ic50 = 38 nM T1R C30 H40 N2 O8 S CC(C)CN(C[....
282 6PJI Ki = 0.571 nM OO4 C32 H41 N3 O8 COC(=O)N[C....
283 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
284 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
285 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
286 2J9K - 2NC C35 H68 N11 O8 CCCC[C@@H]....
287 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
288 2NPH - TYR VAL ASP GLY ALA n/a n/a
289 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
290 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
291 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
292 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
293 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
294 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
295 5KQZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
296 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
297 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
298 3BVB Ka = 3170000 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
299 5KR0 Ki = 0.71 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
300 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
301 2NXL Kd = 0.54 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
302 4TVH - 3TL C50 H64 N6 O10 C[C@@H](C(....
303 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
304 6OXV - NF4 C31 H44 N2 O8 S CCC(CC)CN(....
305 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
306 6OOS - 017 C27 H37 N3 O7 S CC(C)C[N@@....
307 7HVP Ki = 0.24 nM ACE SER LEU ASN JG3 ILE VME n/a n/a
308 2R5P Ki = 3.3 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
309 6OY1 - NJ1 C31 H44 N2 O9 S CCC(CC)CN(....
310 1LZQ Ki = 4.1 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
311 1A94 Ki = 14 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
312 1HVK Ki = 77 pM A79 C44 H58 N8 O6 CC(C)[C@@H....
313 6DH1 Ki = 26.1 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
314 2R38 Ki = 0.036 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
315 3BXS Ki = 8 uM DRS C19 H26 N2 O5 CC(C)[C@H]....
316 2QD7 Ki = 0.8 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
317 6B3C - CKS C34 H34 F3 N3 O3 S C[C@@H]1CN....
318 3DK1 Ki = 0.18 nM G05 C29 H40 N2 O8 S CC(C)C[N@@....
319 2BB9 ic50 = 0.44 nM AKC C36 H39 N3 O7 CCOCCOC(=O....
320 1HEG Ki = 18 nM PSI C29 H47 N5 O7 C[C@@H](C(....
321 6OPT - 017 C27 H37 N3 O7 S CC(C)C[N@@....
322 4FL8 - GLN ILE IL0 ILE GLU ILE ALA n/a n/a
323 4Q1Y Ki = 45 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
324 2FGV Kd = 760 nM QNC ASN HPH DIQ NTB n/a n/a
325 1EC0 Ki = 3.2 nM BED C38 H38 F2 N2 O8 c1ccc2c(c1....
326 1K6C Kd = 33 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
327 1MSN Kd < 1 nM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
328 6DGZ Ki < 5 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
329 2PSV Ki = 58 nM MUV C23 H31 N3 O6 S CNC(=O)CCC....
330 1DMP Ki = 0.28 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
331 2QNP Ki = 0.39 uM QN2 C30 H29 I2 N3 O4 S2 c1ccc(cc1)....
332 3S53 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
333 1HXB Ki = 0.12 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
334 1HSG Ki = 0.38 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
335 1IIQ Ki = 33 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
336 2AZ8 ic50 = 6 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
337 4QJ7 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
338 5TYR ic50 = 0.26 nM 7O7 C33 H42 N4 O7 S2 CC(C)CN(C[....
339 2QI1 Ki = 50 nM MZ4 C29 H30 N2 O7 S2 COc1cccc(c....
340 1RL8 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
341 2AVO Ki = 1.4 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
342 6B4N Ki = 27.9 pM G53 C32 H39 N3 O10 S CC(C)CN(C[....
343 3NU6 Ki = 0.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
344 6PJO Ki = 0.161 nM OQ7 C34 H45 N3 O8 COC(=O)N[C....
345 3DCR ic50 = 6.3 nM KVS C36 H68 N10 O10 [H]/N=C(N)....
346 1YTG - PRO ILE VAL NH2 n/a n/a
347 4FE6 Ki < 0.1 nM 0TQ C32 H42 N4 O8 S CC(C)CN(C[....
348 5BRY Ki = 0.0015 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
349 4DJQ Ki = 0.048 nM M86 C28 H40 N4 O7 S CC[C@H](C)....
350 1HXW Ki = 15 pM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
351 4HDB Ki = 8.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
352 1T7I - 017 C27 H37 N3 O7 S CC(C)C[N@@....
353 1KJG - GLY ALA GLU THR PHE TYR VAL ASP GLY ALA n/a n/a
354 4OBG - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
355 1AAQ Ki = 3 nM PSI C29 H47 N5 O7 C[C@@H](C(....
356 3NU9 Ki = 0.9 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
357 2QNQ Ki = 0.77 uM QN3 C30 H29 Cl2 N3 O4 S2 c1ccc(cc1)....
358 5DGU Ki = 0.0045 nM 5B7 C30 H42 N2 O9 S CC(C)CN(C[....
359 4A6C Ki = 4.2 nM QG9 C43 H51 N5 O6 CC(C)(C)[C....
360 5KQY Ki = 0.51 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
361 1MRX Kd = 55 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
362 2UY0 Ki = 120 nM HV1 C36 H43 Br N4 O7 CC(C)(C)[C....
363 2QD8 Ki = 0.85 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
364 1HVJ Ki = 4 pM A78 C44 H60 N8 O5 CC(C)[C@@H....
365 3EKY Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
366 1T7J Kd = 0.000000064 M 478 C25 H35 N3 O6 S CC(C)C[N@]....
367 6B3G - CKY C34 H34 F3 N3 O3 S C[C@H]1CNC....
368 1MES Ki = 20 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
369 6DIF Ki = 0.019 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
370 3KDC Kd = 0.52 nM JZP C33 H35 Cl2 N3 O6 S CC1([C@H](....
371 3NUJ Ki = 0.41 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
372 6D0E - FQ1 C29 H38 F2 N2 O8 S CC(C)CN(C[....
373 2FLE Ki = 14 nM AI C44 H64 N8 O6 CC(C)[C@@H....
374 3HAW Kd = 1.01 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
375 3EKV Kd = 0.39 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
376 4QJ6 - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
377 2QI4 Ki = 0.036 nM MZ6 C29 H33 N3 O5 S2 CC[C@H](C)....
378 6OXU - NE7 C30 H42 N2 O8 S CC[C@H](C)....
379 5YOK - 8Z0 C41 H48 N4 O8 S Cc1cccc(c1....
380 6B38 - CKM C34 H34 F3 N3 O3 S C[C@@H]1CN....
381 3GI4 Ki = 0.016 nM K60 C32 H34 F3 N3 O8 S CC(C)C[N@@....
382 4OBF - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
383 1GNN Ki = 2100 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
384 2WKZ Ki = 1.7 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
385 5YOJ - 8Z0 C41 H48 N4 O8 S Cc1cccc(c1....
386 6VOE ic50 = 0.3 nM T2R C33 H44 N4 O8 S CC(C)CN(C[....
387 1ZSR Ki = 0.15 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
388 6DH7 Ki = 131.3 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
389 3BC4 Ki = 4.5 uM LLG C14 H15 N O2 c1ccc2c(c1....
390 2AOC Ki = 13 uM UNX 2NC n/a n/a
391 2ZGA Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
392 3BGB Ki = 0.9 uM LJG C24 H39 N5 O4 S2 CC(C)CN(CC....
393 2PK6 Kd = 13 pM O33 C40 H45 N5 O7 S2 CC1([C@H](....
394 4A6B Ki = 12 nM QG8 C44 H52 N4 O6 CC(C)(C)[C....
395 4DJR Ki = 0.003 nM 0KJ C28 H36 N4 O6 S2 CC[C@H](C)....
396 5KQX Ki = 3.6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
397 1A8G Ki = 7.4 nM 2Z4 C46 H59 N5 O9 CC(C)[C@@H....
398 1HIH Ki = 9 nM C20 C31 H51 N5 O5 CC(C)[C@@H....
399 1KZK Ki = 41 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
400 4Q1X Ki = 7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
401 6BRA - SER GLY ILE PHE LEU GLU THR SER n/a n/a
402 2P3A Ki = 11 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
403 3OU3 - LEU ASN PHE PRO ILE SER PRO n/a n/a
404 2Q55 Ki = 2.04 nM MU0 C37 H45 N5 O6 CC(C)[C@@H....
405 1HTG ic50 = 3.8 nM G37 C42 H47 N7 O5 S CC1([C@@H]....
406 2PYN Kd = 27 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
407 2NNK - ROC C38 H50 N6 O5 CC(C)(C)NC....
408 1HPV Ki = 0.6 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
409 1D4J Ki = 4.4 nM MSC C36 H36 Cl F N2 O7 c1ccc(cc1)....
410 4DQB - 017 C27 H37 N3 O7 S CC(C)C[N@@....
411 1A8K - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
412 3NYG - 2NC C35 H68 N11 O8 CCCC[C@@H]....
413 3D20 Ki = 5 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
414 1FEJ - 2NC C35 H68 N11 O8 CCCC[C@@H]....
415 6OPS - 017 C27 H37 N3 O7 S CC(C)C[N@@....
416 6PJB - AB1 C37 H48 N4 O5 Cc1cccc(c1....
417 1C6Z - ROC C38 H50 N6 O5 CC(C)(C)NC....
418 5TYS ic50 = 0.019 nM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
419 2F81 Ki = 0.03 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
420 1KJ7 - PRO ALA THR ILE MET MET GLN ARG GLY ASN n/a n/a
421 3KF0 - 4DX C7 H14 O C[C@H]1CCC....
422 6DH4 Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
423 3EL9 Kd = 4 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
424 1K2B - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
425 1ZP8 Ki = 1.7 nM AB2 C34 H41 N5 O7 S CC(C)CN(C[....
426 6DJ1 Ki = 0.031 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
427 3JW2 - 017 C27 H37 N3 O7 S CC(C)C[N@@....
428 2O4K Kd = 35 pM DR7 C38 H52 N6 O7 CC(C)(C)[C....
429 1HPO Ki = 0.6 nM UNI C28 H28 N2 O5 S c1cc(cc(c1....
430 3LZV Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
431 6DH3 Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
432 3H5B Ki = 0.099 nM 031 C30 H39 N3 O8 S COc1ccc(cc....
433 1AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
434 1EC3 Ki = 0.92 nM MS3 C42 H52 N6 O8 CC(C)[C@@H....
435 3EKP Kd = 1.3 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
436 4EJ8 Kd = 4.1 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
437 3I7E Ki = 14 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
438 2O4S Kd = 31 pM AB1 C37 H48 N4 O5 Cc1cccc(c1....
439 4EJD Kd = 14.5 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
440 2Q54 Ki = 0.98 nM MU1 C37 H44 N4 O7 CC(C)[C@@H....
441 3KDD Kd = 3.45 nM JZQ C33 H35 F2 N3 O6 S CC1([C@H](....
442 2F80 Ki = 6.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
443 1TCX Ki = 112 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
444 5IVS ic50 = 6.1 nM 6EF C38 H42 N4 O6 COC(=O)N[C....
445 4QJ2 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
446 8HVP Ki < 1 nM VAL SER GLN ASN LOV ILE VAL n/a n/a
447 3TL9 - ROC C38 H50 N6 O5 CC(C)(C)NC....
448 3TLH Ki = 1.5 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
449 2QNN Ki = 0.07 uM QN1 C34 H31 F6 N5 O6 S2 c1cc(ccc1C....
450 3KFS - 3TL C50 H64 N6 O10 C[C@@H](C(....
451 6OYD ic50 = 0.12 nM NKA C33 H43 F N4 O8 S CC(C)CN(C[....
452 6CDL Ki = 0.012 nM GR5 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
453 1M0B Ki = 1.53 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
454 6OYR ic50 = 0.29 nM NJY C33 H43 F N4 O8 S CC(C)CN(C[....
455 2Q63 Kd = 66 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
456 4QGI - ROC C38 H50 N6 O5 CC(C)(C)NC....
457 1D4Y Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
458 6C8Y - BVR C27 H36 B N2 O9 S B(=O)(c1cc....
459 5KAO - G43 C29 H39 Cl N2 O9 S CC(C)CN(C[....
460 1SGU Ki = 4235 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
461 1A30 Ki = 50 uM GLU ASP LEU n/a n/a
462 2QI3 Ki = 0.063 nM MZ5 C27 H37 N3 O5 S2 CC[C@H](C)....
463 4EYR ic50 = 237 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
464 3D1Y Ki = 6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
465 6OOU - 017 C27 H37 N3 O7 S CC(C)C[N@@....
466 2PYM Kd = 150 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
467 4U8W Ki = 0.0058 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
468 2A4F - AAU C36 H39 N3 O8 COc1cc(ccc....
469 3B80 - ASN LEU LNT GLN ILE n/a n/a
470 6PJM Ki = 0.013 nM OQV C33 H45 N3 O8 CC(C)(C)[C....
471 4DQE - 017 C27 H37 N3 O7 S CC(C)C[N@@....
472 5KR1 Ki = 0.32 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
473 2I4W Ki = 2.6 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
474 5WLO Ki = 0.015 nM GR7 C32 H42 N2 O9 S COc1ccc2c(....
475 3OUA - GLY ASN PHE LEU GLN SER ARG n/a n/a
476 2R3W Ki = 0.128 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
477 3TKG - ROC C38 H50 N6 O5 CC(C)(C)NC....
478 3GI5 Ki = 0.006 nM K62 C33 H37 N3 O9 S CC(C)C[N@@....
479 6OXY - NG4 C29 H40 N2 O9 S CC(C)CN(C[....
480 1BWB Ki = 3.8 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
481 4K4Q - 06B C9 H9 Br O4 COc1ccc(c(....
482 1WBK - 568 C34 H40 N2 O9 c1ccc(cc1)....
483 3EKT Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
484 1C6Y Ki = 0.31 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
485 2O4L Kd = 608 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
486 3OXC Ki = 3.9 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
487 3BVA Ka = 3300000 M^-1 2NC C35 H68 N11 O8 CCCC[C@@H]....
488 1MSM Kd = 33 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
489 2AZB ic50 = 64 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
490 4I8W Ki = 12.7 pM G07 C28 H36 N2 O9 S CC(C)CN(C[....
491 2CEM Ki = 12 nM 2AH C39 H45 N5 O6 CC(C)(C)[C....
492 6PJC Ki = 0.017 nM OR1 C35 H42 N2 O7 Cc1cccc(c1....
493 4CPX - J3W C40 H53 N5 O6 S CC(C)[C@H]....
494 4GYE - ILO VAL PUK GLU ALA NLE n/a n/a
495 1B6M Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
496 5ULT Ki = 0.014 nM 8FM C30 H40 N2 O8 S CC(C)CN(C[....
497 2WL0 Ki = 16 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
498 1HEF Ki = 1 nM ALA ALA PJJ VAL VME n/a n/a
499 4TVG - IVA VAL VAL STA ALA STA n/a n/a
500 1F7A - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
501 3LZU Kd = 0.087 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
502 4OBK - ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO n/a n/a
503 3TH9 Ki = 20 nM 9Y9 C25 H33 F N2 O5 S C[C@H]1Cc2....
504 3NUO Ki = 0.16 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
505 3KFP - 3TL C50 H64 N6 O10 C[C@@H](C(....
506 2O4P Kd = 19 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
507 3A2O Ki = 0.83 nM KNJ C30 H40 N4 O5 S Cc1cc(cc(c....
508 1BV9 Ki = 1.1 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
509 1HVL Ki = 1000 pM A76 C44 H58 N8 O6 CC(C)[C@@H....
510 3OUC - THR ILE MET MET GLN ARG GLY n/a n/a
511 1K1T - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
512 1XL2 Ki = 1.5 uM 189 C33 H43 N3 O4 S Cc1cccc(c1....
513 1ODY Ki = 8 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
514 2PK5 Kd = 20 pM 075 C40 H45 N5 O9 S2 CC1([C@H](....
515 2CEJ Ki = 2.4 nM 1AH C34 H41 Br N4 O6 CC(C)(C)[C....
516 3PWR - ROC C38 H50 N6 O5 CC(C)(C)NC....
517 1FF0 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
518 4OBD - ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO n/a n/a
519 3I6O Ki = 45 pM GR6 C32 H42 N2 O9 S COc1ccc2c(....
520 1TSQ - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
521 1MEU Ki = 0.8 uM DMP C35 H38 N2 O5 c1ccc(cc1)....
522 6PJE Ki = 46 nM OPJ C33 H43 N3 O8 COC(=O)NC1....
523 2FXE - DR7 C38 H52 N6 O7 CC(C)(C)[C....
524 1HOS Ki = 2.8 nM PHP C42 H51 N4 O8 P CC(C)[C@@H....
525 1MT7 - VAL SER GLN ASN TYR PRO ILE VAL GLN ASN n/a n/a
526 1HVS Ki = 50 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
527 3R0Y ic50 = 14.53 uM RSZ C34 H39 N5 O5 CC(C)[C@@H....
528 1FGC - 2NC C35 H68 N11 O8 CCCC[C@@H]....
529 4CPT Ki = 20 nM 1T8 C41 H54 N6 O6 CC(C)[C@H]....
530 1DIF Ki = 22 pM A85 C44 H56 F2 N8 O6 CC(C)[C@@H....
531 1D4L Ki = 1.7 nM PI9 C32 H48 N4 O6 S CC(C)CC[N@....
532 4OBH - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
533 3KFR - 3TL C50 H64 N6 O10 C[C@@H](C(....
534 2I0A Ki = 0.004 nM MUI C33 H39 N3 O8 S CC(C)C[N@@....
535 6PJN Ki = 7.3 nM OQP C33 H43 N3 O8 COC(=O)NC1....
536 1EC1 Ki = 1.2 nM BEE C40 H50 N4 O8 S2 CC(C)[C@@H....
537 6DH6 Ki = 117.2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
538 1ZSF Ki = 0.12 nM 0ZS C38 H49 N5 O8 CC(C)(C)OC....
539 2FGU Kd = 0.66 nM QNC ASN HPH DIQ NTB n/a n/a
540 3NU3 Ki = 0.15 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
541 2FNT - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
542 1KJH - ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE n/a n/a
543 3S54 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
544 6U7O Ki = 15.5 uM Q1D C29 H39 B N2 O9 S B(c1ccc(cc....
545 2PSU Ki = 24 nM MUU C26 H35 N3 O6 S CNC(=O)CCC....
546 4K4P - 3TL C50 H64 N6 O10 C[C@@H](C(....
547 2AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
548 5AH7 - C7J C27 H36 Cl N3 O7 S CC(C)CN(CC....
549 3GGA - GGW C39 H53 N5 O7 CC(C)(C)[C....
550 6OXX - NF7 C29 H40 N2 O9 S CC(C)CN(C[....
551 3BXR Ki = 0.8 uM DRR C37 H51 N5 O7 CC[C@H](C)....
552 1KJF - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
553 1SBG Ki = 18 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
554 2NMZ - ROC C38 H50 N6 O5 CC(C)(C)NC....
555 3DJK Ki = 26 pM G55 C27 H38 N2 O8 S CC(C)C[N@@....
556 4DFG Ki = 1.8 pM 0JV C31 H43 N3 O9 S CC(C)CN(C[....
557 1EC2 Ki = 0.1 nM BEJ C42 H52 N6 O8 CC(C)[C@@H....
558 1YTH - ACE SER LEU ASN PHE n/a n/a
559 3HDK Kd = 17.5 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
70% Homology Family (583)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 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 6B3H - CN4 C30 H32 F3 N3 O3 S c1cc(c(c(c....
4 4HLA - 017 C27 H37 N3 O7 S CC(C)C[N@@....
5 3TKW - 017 C27 H37 N3 O7 S CC(C)C[N@@....
6 4COE Ki = 65 nM M17 C44 H59 N5 O6 CC(C)[C@@H....
7 1HVR Ki = 0.31 nM XK2 C41 H38 N2 O3 c1ccc(cc1)....
8 2BPV Ki = 21.2 nM 1IN C35 H51 N5 O5 C[C@H]1CC[....
9 1G35 Ki = 7.3 nM AHF C35 H40 N2 O9 S COC(c1ccc(....
10 2QI5 Ki = 0.014 nM MZ7 C29 H40 N4 O5 S2 CCCCC[N@@]....
11 6IXD Ki = 0.16 nM B0F C45 H56 N6 O8 S2 Cc1cc(cc(c....
12 4K4R - 3TL C50 H64 N6 O10 C[C@@H](C(....
13 6MCS - JDV C33 H41 F N4 O7 S2 CC(C)CN(C[....
14 3CKT Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
15 6OXO - NJM C28 H38 N2 O8 S CC(C)CN(C[....
16 2AVS Ki = 27 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
17 2IDW Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
18 2I4V Ki = 6.3 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
19 1NPV ic50 = 5.7 nM L27 C35 H37 N3 O6 c1ccc(cc1)....
20 1HIV Ki < 1 nM 1ZK C45 H62 N7 O7 CC[C@H](C)....
21 4I8Z Ki = 8.9 pM G08 C28 H37 N3 O8 S CC(C)CN(C[....
22 2F3K Kd = 0.95 nM RO1 C37 H53 N5 O7 S CC(C)(C)NC....
23 4ZIP Ki = 0.21 nM G64 C37 H46 N4 O7 S Cc1cc(cc(c....
24 3R4B - 74T C38 H53 N5 O7 S2 CC(C)C[N@@....
25 1AJV Ki = 19.1 nM NMB C32 H34 N2 O6 S c1ccc(cc1)....
26 4U7V Ki = 3.2 uM 3EN C28 H36 N4 O4 S CC(C)[C@@H....
27 6DJ7 Ki = 1.9 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
28 1GNM Ki = 560 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
29 3KDB Kd = 0.14 nM 006 C35 H41 N3 O6 S Cc1cccc(c1....
30 6DH8 Ki = 146.2 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
31 1B6K Ki = 1.8 nM PI5 C37 H53 N5 O7 CC[C@H](C)....
32 4DQF - 017 C27 H37 N3 O7 S CC(C)C[N@@....
33 1QBT Ki = 0.024 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
34 5COO - 52Z C30 H42 N2 O10 S CC(C)CN(C[....
35 6PJF Ki = 0.235 nM OP7 C34 H45 N3 O8 COC(=O)N[C....
36 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
37 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
38 6E9A Ki = 0.0012 nM J0S C28 H37 N3 O8 S CC(C)CN(C[....
39 4FLG - GLN ILE ILE n/a n/a
40 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
41 6CDJ Ki = 2 pM GR8 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
42 4CPU Ki = 29.5 nM V78 C40 H55 N5 O6 S CC(C)[C@H]....
43 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
44 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
45 6OXR - NJA C29 H40 N2 O8 S C[C@@H](c1....
46 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
47 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
48 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
49 3B7V - ASN LEU LNT GLN ILE n/a n/a
50 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
51 1B6J Ki = 12 nM ASN RTY PRO ILE VAL NH2 n/a n/a
52 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
53 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
54 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
55 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
56 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
57 6DH5 - A60 C29 H41 N3 O7 S CCC(CC)C[N....
58 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
59 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
60 5JFU Ki = 8.5 nM 6KQ C35 H46 N2 O8 S COc1ccc(cc....
61 4GZF ic50 = 4.4 nM ILO VAL DC0 GLU ALA NLE n/a n/a
62 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
63 5IVQ - 6EH C24 H31 N3 O4 COC(=O)N[C....
64 4CPQ - 9MW C43 H58 N6 O6 CC(C)[C@@H....
65 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
66 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
67 6B3F - CKV C34 H34 F3 N3 O3 S C[C@H]1CN(....
68 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
69 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
70 6OXW - NFJ C31 H44 N2 O8 S CCC(CC)CN(....
71 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
72 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
73 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
74 6DGX Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
75 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
76 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
77 4CPW - V78 C40 H55 N5 O6 S CC(C)[C@H]....
78 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
79 4LL3 Kd = 2.7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
80 6OOT - 017 C27 H37 N3 O7 S CC(C)C[N@@....
81 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
82 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
83 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
84 1FG6 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
85 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
86 4HE9 Ki = 3.5 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
87 6OY0 - NJ7 C30 H42 N2 O9 S CC[C@H](C)....
88 1BV7 Ki = 0.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
89 1HPS Ki = 0.6 nM RUN C38 H46 N4 O5 CC(C)[C@@H....
90 6O48 Ki = 75 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
91 2I4U Ki = 2.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
92 5AH9 - C7L C30 H43 N3 O9 S CC(C)CN(C[....
93 5IVR - 6EG C34 H38 N4 O4 COC(=O)N[C....
94 6DH0 Ki = 25.6 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
95 4EJL Kd = 7.2 uM IOP C11 H11 N O2 c1ccc2c(c1....
96 6KMP - KVS C36 H68 N10 O10 [H]/N=C(N)....
97 6PJL Ki = 0.027 nM OQA C33 H45 N3 O8 CC[C@@H](C....
98 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
99 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
100 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
101 5COK - 52U C29 H40 N2 O8 S CC(C)CN(C[....
102 6PJG Ki = 0.019 nM ORV C30 H39 N3 O8 C[C@@H](C(....
103 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
104 5JG1 Ki = 1.9 nM 6KR C33 H50 N2 O8 S CC(C)CN(C[....
105 6OXZ - NJG C30 H42 N2 O9 S CC[C@H](C)....
106 2NNP - ROC C38 H50 N6 O5 CC(C)(C)NC....
107 3KFN - 4DX C7 H14 O C[C@H]1CCC....
108 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
109 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
110 6DV0 Ki = 0.38 nM GA8 C36 H47 N3 O7 S2 CC(C)CN(C[....
111 1VIK ic50 = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
112 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
113 2I4X Ki = 1.9 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
114 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
115 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
116 4OBJ - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
117 1FFI - 2NC C35 H68 N11 O8 CCCC[C@@H]....
118 4CPR Ki = 35 nM 378 C42 H57 N5 O6 S CC(C)[C@@H....
119 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
120 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
121 6OXQ - F53 C30 H42 N2 O8 S CCC(CC)C[N....
122 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
123 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
124 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
125 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
126 5KR2 Ki = 3.3 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
127 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
128 6VCE ic50 = 79 pM G6R C34 H42 F2 N4 O6 S2 CC(C)CN(C[....
129 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
130 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co [B@H]12[BH....
131 2NXM Kd = 6.4 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
132 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
133 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
134 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
135 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
136 5COP - 53F C29 H41 N3 O9 S CC(C)CN(C[....
137 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
138 4ZLS Ki = 0.82 nM G61 C34 H46 N2 O8 S CC(C)CN(C[....
139 5BS4 Ki = 0.0099 nM 4UX C28 H40 N4 O7 S CC(C)CN(C[....
140 6D0D - FQ4 C29 H39 F N2 O8 S CC(C)CN(C[....
141 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
142 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co [B@H]12[BH....
143 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
144 6DJ5 - G52 C30 H40 N2 O9 S CC(C)C[N@@....
145 4CP7 Ki = 7.8 nM 9MW C43 H58 N6 O6 CC(C)[C@@H....
146 6PJK Ki = 0.055 nM OQD C33 H45 N3 O8 CC[C@H](C)....
147 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
148 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
149 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
150 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
151 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
152 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
153 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
154 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
155 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
156 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
157 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
158 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
159 4QJA - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
160 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
161 6PJD Ki = 0.018 nM OQY C33 H45 N3 O8 CC(C)(C)[C....
162 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
163 6B36 - CKD C33 H32 F3 N3 O3 S c1ccc(cc1)....
164 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
165 4Q1W Ki = 2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
166 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
167 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
168 6DGY Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
169 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
170 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
171 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
172 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
173 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
174 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
175 1K2C - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
176 1ODX - 0E8 C30 H45 N3 O6 CC(C)(C)OC....
177 4QJ9 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
178 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
179 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
180 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
181 6OXT - NEJ C30 H42 N2 O8 S CC[C@H](C)....
182 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
183 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
184 6DJ2 Ki = 4.5 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
185 6BZ2 Ki = 14 pM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
186 2Q64 Kd = 3 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
187 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
188 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
189 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
190 5JFP Ki = 0.48 nM 6KK C32 H48 N2 O8 S CC(C)CN(C[....
191 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
192 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
193 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
194 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
195 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
196 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
197 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
198 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
199 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
200 1FFF - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
201 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
202 5DGW Ki = 0.009 nM 5B5 C31 H45 N3 O8 S CCN[C@H]1C....
203 6OY2 - NJJ C31 H44 N2 O9 S CCC(CC)CN(....
204 6PJH Ki = 0.074 nM OQG C32 H43 N3 O8 CC(C)[C@@H....
205 1NH0 Ki = 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
206 6U7P - B4R C28 H39 B N2 O9 S B(c1ccc(cc....
207 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 CC(C)(C)OC....
208 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
209 4U7Q Ki = 180 pM 3EM C43 H51 N5 O8 S CCN(CC)c1c....
210 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
211 6DIL Ki = 7.6 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
212 4CPS - 1T8 C41 H54 N6 O6 CC(C)[C@H]....
213 2NMY - ROC C38 H50 N6 O5 CC(C)(C)NC....
214 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
215 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
216 1DAZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
217 5CON - 52W C29 H40 N2 O9 S CC(C)CN(C[....
218 4QJ8 - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
219 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
220 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
221 6OGP ic50 = 0.055 uM MJD C33 H42 F2 N4 O8 S CC(C)CN(C[....
222 6OXP - K2A C29 H40 N2 O8 S CC[C@H](C)....
223 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
224 1MTB - QNC ASN HPH DIQ NTB n/a n/a
225 1FG8 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
226 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
227 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
228 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
229 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
230 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
231 6DV4 Ki = 1.6 nM GA5 C37 H49 N3 O8 S CC(C)CN(C[....
232 2IEN Ki = 1 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
233 6DH2 Ki = 12.8 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
234 1SP5 - TYR ASP GLN ILE LEU n/a n/a
235 5IVT ic50 = 0.8 nM 6EE C30 H30 Cl F6 N5 O4 c1cc(ccc1[....
236 6C8X Ki = 0.5 pM BVR C27 H36 B N2 O9 S B(=O)(c1cc....
237 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
238 1VIJ ic50 = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
239 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
240 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
241 6E7J Ki = 0.33 nM HWY C34 H41 N3 O8 S CC(C)CN(C[....
242 6MCR - JDY C33 H41 F N4 O7 S2 CC(C)CN(C[....
243 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
244 6PU8 - P3V C27 H37 N3 O8 S CC(C)CN(CC....
245 3CYX Ki = 10 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
246 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
247 1EBK - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
248 5UOV Ki = 0.025 nM 8FP C37 H44 N4 O6 S2 Cc1csc(n1)....
249 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
250 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
251 5UPZ Ki = 0.63 nM 8HD C35 H42 N4 O7 S Cc1coc(n1)....
252 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
253 6OTG Ki = 31.4 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
254 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
255 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
256 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
257 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
258 1K1U - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
259 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
260 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
261 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
262 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
263 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
264 6OXS - NJ4 C29 H40 N2 O8 S C[C@H](c1c....
265 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
266 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
267 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
268 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
269 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
270 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
271 1DW6 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
272 1BWA Ki = 2.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
273 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
274 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
275 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
276 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
277 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
278 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
279 3NWX - KVS C36 H68 N10 O10 [H]/N=C(N)....
280 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
281 6VOD ic50 = 38 nM T1R C30 H40 N2 O8 S CC(C)CN(C[....
282 6PJI Ki = 0.571 nM OO4 C32 H41 N3 O8 COC(=O)N[C....
283 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
284 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
285 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
286 2J9K - 2NC C35 H68 N11 O8 CCCC[C@@H]....
287 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
288 2NPH - TYR VAL ASP GLY ALA n/a n/a
289 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
290 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
291 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
292 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
293 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
294 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
295 5KQZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
296 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
297 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
298 3BVB Ka = 3170000 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
299 5KR0 Ki = 0.71 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
300 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
301 2NXL Kd = 0.54 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
302 4TVH - 3TL C50 H64 N6 O10 C[C@@H](C(....
303 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
304 6OXV - NF4 C31 H44 N2 O8 S CCC(CC)CN(....
305 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
306 6OOS -