Receptor
PDB id Resolution Class Description Source Keywords
2AOH 1.42 Å EC: 3.4.23.16 CRYSTAL STRUCTURE ANALYSIS OF HIV-1 PROTEASE MUTANT V82A WIT SUBSTRATE ANALOG P6-PR HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (BISOLATE) HIV-1 PROTEASE MUTANT DIMER SUBSTRATE ANALOG HYDROLASE-HINHIBITOR COMPLEX
Ref.: MOLECULAR BASIS FOR SUBSTRATE RECOGNITION AND DRUG RESISTANCE FROM 1.1 TO 1.6 ANGSTROMS RESOLUTION CRY STRUCTURES OF HIV-1 PROTEASE MUTANTS WITH SUBSTRATE FEBS J. V. 272 5265 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:501;
B:502;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
NA A:500;
Part of Protein;
none;
submit data
22.99 Na [Na+]
VAL SER PHE ASN FRD PRO GLN ILE THR ALA C:301;
Valid;
none;
Ki = 36.3 uM
1094.3 n/a O=C(N...
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 (540)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 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 Kd = 9.7 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 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
36 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
37 6E9A ic50 = 48.3 nM J0S C28 H37 N3 O8 S CC(C)CN(C[....
38 4FLG - GLN ILE ILE n/a n/a
39 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
40 6CDJ Ki = 2 pM GR8 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
41 4CPU Ki = 29.5 nM V78 C40 H55 N5 O6 S CC(C)[C@H]....
42 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
43 6OXR - NJA C29 H40 N2 O8 S C[C@@H](c1....
44 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
45 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
46 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
47 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
48 3B7V - ASN LEU LNT GLN ILE n/a n/a
49 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
50 1B6J Ki = 12 nM PI1 C34 H53 N7 O8 CC[C@H](C)....
51 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
52 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
53 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
54 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
55 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
56 6DH5 - A60 C29 H41 N3 O7 S CCC(CC)C[N....
57 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
58 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
59 5JFU Ki = 8.5 nM 6KQ C35 H46 N2 O8 S COc1ccc(cc....
60 4GZF ic50 = 142 nM ILO VAL DC0 GLU ALA NLE n/a n/a
61 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
62 5IVQ - 6EH C24 H31 N3 O4 COC(=O)N[C....
63 4CPQ - 9MW C43 H58 N6 O6 CC(C)[C@@H....
64 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
65 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
66 6B3F - CKV C34 H34 F3 N3 O3 S C[C@H]1CN(....
67 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
68 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
69 6OXW - NFJ C31 H44 N2 O8 S CCC(CC)CN(....
70 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
71 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
72 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
73 6DGX Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
74 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
75 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
76 4CPW - V78 C40 H55 N5 O6 S CC(C)[C@H]....
77 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
78 4LL3 Kd = 2.7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
79 6OOT - 017 C27 H37 N3 O7 S CC(C)C[N@@....
80 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
81 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
82 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
83 1FG6 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
84 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
85 3HBO Kd = 8.2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
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 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
97 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
98 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
99 5COK - 52U C29 H40 N2 O8 S CC(C)CN(C[....
100 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
101 5JG1 Ki = 1.9 nM 6KR C33 H50 N2 O8 S CC(C)CN(C[....
102 6OXZ - NJG C30 H42 N2 O9 S CC[C@H](C)....
103 2NNP - ROC C38 H50 N6 O5 CC(C)(C)NC....
104 3KFN - 4DX C7 H14 O C[C@H]1CCC....
105 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
106 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
107 6DV0 Ki = 0.38 nM GA8 C36 H47 N3 O7 S2 CC(C)CN(C[....
108 1VIK Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
109 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
110 2I4X Kd = 9.7 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
111 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
112 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
113 4OBJ - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
114 1FFI - 2NC C35 H68 N11 O8 CCCC[C@@H]....
115 4CPR Ki = 35 nM 378 C42 H57 N5 O6 S CC(C)[C@@H....
116 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
117 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
118 6OXQ - F53 C30 H42 N2 O8 S CCC(CC)C[N....
119 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
120 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
121 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
122 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
123 5KR2 Ki = 3.3 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
124 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
125 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
126 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co [B@H]12[BH....
127 2NXM Kd = 0.54 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
128 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
129 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
130 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
131 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
132 5COP - 53F C29 H41 N3 O9 S CC(C)CN(C[....
133 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
134 4ZLS Ki = 0.82 nM G61 C34 H46 N2 O8 S CC(C)CN(C[....
135 5BS4 Ki = 0.0099 nM 4UX C28 H40 N4 O7 S CC(C)CN(C[....
136 6D0D - FQ4 C29 H39 F N2 O8 S CC(C)CN(C[....
137 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
138 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co [B@H]12[BH....
139 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
140 6DJ5 - G52 C30 H40 N2 O9 S CC(C)C[N@@....
141 4CP7 Ki = 7.8 nM 9MW C43 H58 N6 O6 CC(C)[C@@H....
142 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
143 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
144 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
145 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
146 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
147 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
148 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
149 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
150 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
151 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
152 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
153 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
154 4QJA - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
155 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
156 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
157 6B36 - CKD C33 H32 F3 N3 O3 S c1ccc(cc1)....
158 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
159 4Q1W Ki = 2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
160 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
161 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
162 6DGY Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
163 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
164 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
165 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
166 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
167 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
168 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
169 1K2C - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
170 1ODX - 0E8 C30 H45 N3 O6 CC(C)(C)OC....
171 4QJ9 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
172 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
173 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
174 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
175 6OXT - NEJ C30 H42 N2 O8 S CC[C@H](C)....
176 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
177 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
178 6DJ2 Ki = 4.5 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
179 6BZ2 Ki = 14 pM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
180 2Q64 Ki = 0.07 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
181 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
182 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
183 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
184 5JFP Ki = 0.48 nM 6KK C32 H48 N2 O8 S CC(C)CN(C[....
185 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
186 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
187 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
188 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
189 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
190 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
191 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
192 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
193 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
194 1FFF - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
195 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
196 5DGW Ki = 0.009 nM 5B5 C31 H45 N3 O8 S CCN[C@H]1C....
197 6OY2 - NJJ C31 H44 N2 O9 S CCC(CC)CN(....
198 1NH0 Ki ~ 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
199 6U7P - B4R C28 H39 B N2 O9 S B(c1ccc(cc....
200 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 CC(C)(C)OC....
201 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
202 4U7Q Ki = 180 pM 3EM C43 H51 N5 O8 S CCN(CC)c1c....
203 1BDQ Ki = 460 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
204 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
205 6DIL Ki = 7.6 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
206 4CPS - 1T8 C41 H54 N6 O6 CC(C)[C@H]....
207 2NMY - ROC C38 H50 N6 O5 CC(C)(C)NC....
208 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
209 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
210 1DAZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
211 5CON - 52W C29 H40 N2 O9 S CC(C)CN(C[....
212 4QJ8 - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
213 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
214 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
215 6OXP - K2A C29 H40 N2 O8 S CC[C@H](C)....
216 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
217 1MTB - QNC ASN HPH DIQ NTB n/a n/a
218 1FG8 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
219 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
220 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
221 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
222 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
223 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
224 6DV4 Ki = 1.6 nM GA5 C37 H49 N3 O8 S CC(C)CN(C[....
225 2IEN Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
226 6DH2 Ki = 12.8 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
227 1SP5 - TYR ASP GLN ILE LEU n/a n/a
228 5IVT ic50 = 0.8 nM 6EE C30 H30 Cl F6 N5 O4 c1cc(ccc1[....
229 6C8X Ki = 0.5 pM BVR C27 H36 B N2 O9 S B(=O)(c1cc....
230 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
231 1VIJ Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
232 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
233 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
234 6E7J ic50 = 436 nM HWY C34 H41 N3 O8 S CC(C)CN(C[....
235 6MCR - JDY C33 H41 F N4 O7 S2 CC(C)CN(C[....
236 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
237 3CYX Ki = 10 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
238 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
239 1EBK - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
240 5UOV Ki = 0.025 nM 8FP C37 H44 N4 O6 S2 Cc1csc(n1)....
241 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
242 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
243 5UPZ Ki = 0.63 nM 8HD C35 H42 N4 O7 S Cc1coc(n1)....
244 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
245 6OTG Ki = 31.4 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
246 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
247 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
248 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
249 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
250 1K1U - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
251 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
252 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
253 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
254 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
255 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
256 6OXS - NJ4 C29 H40 N2 O8 S C[C@H](c1c....
257 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
258 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
259 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
260 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
261 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
262 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
263 1DW6 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
264 1BWA Ki = 2.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
265 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
266 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
267 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
268 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
269 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
270 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
271 3NWX - KVS C36 H68 N10 O10 [H]/N=C(N)....
272 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
273 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
274 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
275 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
276 2J9K - 2NC C35 H68 N11 O8 CCCC[C@@H]....
277 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
278 2NPH - TYR VAL ASP GLY ALA n/a n/a
279 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
280 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
281 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
282 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
283 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
284 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
285 5KQZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
286 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
287 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
288 3BVB Ka = 3300000 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
289 5KR0 Ki = 0.71 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
290 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
291 2NXL Kd = 6.2 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
292 4TVH - 3TL C50 H64 N6 O10 C[C@@H](C(....
293 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
294 6OXV - NF4 C31 H44 N2 O8 S CCC(CC)CN(....
295 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
296 6OOS - 017 C27 H37 N3 O7 S CC(C)C[N@@....
297 7HVP Ki = 0.24 nM ACE SER LEU ASN JG3 ILE VME n/a n/a
298 2R5P Ki = 3.3 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
299 6OY1 - NJ1 C31 H44 N2 O9 S CCC(CC)CN(....
300 1LZQ Ki = 4.1 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
301 1A94 Ki = 14 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
302 1HVK Ki = 77 pM A79 C44 H58 N8 O6 CC(C)[C@@H....
303 6DH1 Ki = 26.1 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
304 2R38 Ki = 0.036 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
305 3BXS Ki = 8 uM DRS C19 H26 N2 O5 CC(C)[C@H]....
306 2QD7 Ki = 0.8 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
307 6B3C - CKS C34 H34 F3 N3 O3 S C[C@@H]1CN....
308 3DK1 Ki = 0.18 nM G05 C29 H40 N2 O8 S CC(C)C[N@@....
309 2BB9 ic50 = 0.44 nM AKC C36 H39 N3 O7 CCOCCOC(=O....
310 1HEG Ki = 18 nM PSI C29 H47 N5 O7 C[C@@H](C(....
311 6OPT - 017 C27 H37 N3 O7 S CC(C)C[N@@....
312 4FL8 - GLN ILE IL0 ILE GLU ILE ALA n/a n/a
313 4Q1Y Ki = 45 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
314 2FGV Kd = 760 nM QNC ASN HPH DIQ NTB n/a n/a
315 1EC0 Ki = 3.2 nM BED C38 H38 F2 N2 O8 c1ccc2c(c1....
316 1K6C Kd = 33 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
317 1MSN Kd = 81 nM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
318 6DGZ Ki < 5 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
319 2PSV Ki = 58 nM MUV C23 H31 N3 O6 S CNC(=O)CCC....
320 1DMP Ki = 0.28 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
321 2QNP Ki = 0.39 uM QN2 C30 H29 I2 N3 O4 S2 c1ccc(cc1)....
322 3S53 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
323 1HXB Ki = 0.12 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
324 1HSG Ki = 2.45 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
325 1IIQ Ki = 33 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
326 2AZ8 ic50 = 6 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
327 4QJ7 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
328 5TYR ic50 = 0.26 nM 7O7 C33 H42 N4 O7 S2 CC(C)CN(C[....
329 2QI1 Ki = 50 nM MZ4 C29 H30 N2 O7 S2 COc1cccc(c....
330 1RL8 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
331 2AVO Ki = 1.4 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
332 6B4N ic50 = 6.2 nM G53 C32 H39 N3 O10 S CC(C)CN(C[....
333 3NU6 Ki = 0.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
334 3DCR ic50 = 6.3 nM KVS C36 H68 N10 O10 [H]/N=C(N)....
335 1YTG - PRO ILE VAL NH2 n/a n/a
336 4FE6 Ki < 0.3 nM 0TQ C32 H42 N4 O8 S CC(C)CN(C[....
337 5BRY Ki = 0.0015 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
338 4DJQ Ki = 0.048 nM M86 C28 H40 N4 O7 S CC[C@H](C)....
339 1HXW Ki = 15 pM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
340 4HDB Ki = 8.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
341 1T7I - 017 C27 H37 N3 O7 S CC(C)C[N@@....
342 1KJG - GLY ALA GLU THR PHE TYR VAL ASP GLY ALA n/a n/a
343 4OBG - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
344 1AAQ Ki = 3 nM PSI C29 H47 N5 O7 C[C@@H](C(....
345 3NU9 Ki = 0.9 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
346 2QNQ Kd = 0.77 uM QN3 C30 H29 Cl2 N3 O4 S2 c1ccc(cc1)....
347 5DGU Ki = 0.0045 nM 5B7 C30 H42 N2 O9 S CC(C)CN(C[....
348 4A6C Ki = 4.2 nM QG9 C43 H51 N5 O6 CC(C)(C)[C....
349 5KQY Ki = 0.51 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
350 1MRX Kd = 55 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
351 2UY0 Ki = 120 nM HV1 C36 H43 Br N4 O7 CC(C)(C)[C....
352 2QD8 Ki = 0.85 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
353 1HVJ Ki = 4 pM A78 C44 H60 N8 O5 CC(C)[C@@H....
354 3EKY Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
355 1T7J Ka = 17000000000 M^-1 478 C25 H35 N3 O6 S CC(C)C[N@]....
356 6B3G - CKY C34 H34 F3 N3 O3 S C[C@H]1CNC....
357 1MES Ki = 20 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
358 6DIF Ki = 0.019 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
359 3KDC Kd = 0.52 nM JZP C33 H35 Cl2 N3 O6 S CC1([C@H](....
360 3NUJ Ki = 0.41 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
361 6D0E - FQ1 C29 H38 F2 N2 O8 S CC(C)CN(C[....
362 2FLE Ki = 14 nM AI C44 H64 N8 O6 CC(C)[C@@H....
363 3HAW Kd = 1.01 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
364 3EKV Kd = 0.39 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
365 2QI4 Ki = 0.036 nM MZ6 C29 H33 N3 O5 S2 CC[C@H](C)....
366 4QJ6 - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
367 6OXU - NE7 C30 H42 N2 O8 S CC[C@H](C)....
368 5YOK - 8Z0 C41 H48 N4 O8 S Cc1cccc(c1....
369 6B38 - CKM C34 H34 F3 N3 O3 S C[C@@H]1CN....
370 3GI4 Ki = 0.016 nM K60 C32 H34 F3 N3 O8 S CC(C)C[N@@....
371 4OBF - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
372 1GNN Ki = 2100 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
373 2WKZ Ki = 1.7 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
374 5YOJ - 8Z0 C41 H48 N4 O8 S Cc1cccc(c1....
375 1ZSR Ki = 0.15 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
376 6DH7 Ki = 131.3 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
377 3BC4 Ki = 4.5 uM LLG C14 H15 N O2 c1ccc2c(c1....
378 2AOC Ki = 13 uM UNX 2NC n/a n/a
379 2ZGA Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
380 3BGB Ki = 0.9 uM LJG C24 H39 N5 O4 S2 CC(C)CN(CC....
381 2PK6 Kd = 13 pM O33 C40 H45 N5 O7 S2 CC1([C@H](....
382 4A6B Ki = 12 nM QG8 C44 H52 N4 O6 CC(C)(C)[C....
383 4DJR Ki = 0.003 nM 0KJ C28 H36 N4 O6 S2 CC[C@H](C)....
384 5KQX Ki = 3.6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
385 1A8G Ki = 7.4 nM 2Z4 C46 H59 N5 O9 CC(C)[C@@H....
386 1HIH Ki = 9 nM C20 C31 H51 N5 O5 CC(C)[C@@H....
387 1KZK Ki = 41 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
388 4Q1X Ki = 7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
389 6BRA - SER GLY ILE PHE LEU GLU THR SER n/a n/a
390 2P3A Ki = 11 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
391 3OU3 - LEU ASN PHE PRO ILE SER PRO n/a n/a
392 2Q55 Ki = 2.04 nM MU0 C37 H45 N5 O6 CC(C)[C@@H....
393 1HTG ic50 = 3.8 nM G37 C42 H47 N7 O5 S CC1([C@@H]....
394 2PYN Ki = 7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
395 2NNK - ROC C38 H50 N6 O5 CC(C)(C)NC....
396 1HPV Ki = 0.6 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
397 1D4J Ki = 4.4 nM MSC C36 H36 Cl F N2 O7 c1ccc(cc1)....
398 4DQB - 017 C27 H37 N3 O7 S CC(C)C[N@@....
399 1A8K - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
400 3NYG - 2NC C35 H68 N11 O8 CCCC[C@@H]....
401 3D20 Ki = 5 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
402 1FEJ - 2NC C35 H68 N11 O8 CCCC[C@@H]....
403 6OPS - 017 C27 H37 N3 O7 S CC(C)C[N@@....
404 1C6Z - ROC C38 H50 N6 O5 CC(C)(C)NC....
405 5TYS ic50 = 0.019 nM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
406 2F81 Ki = 0.03 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
407 1KJ7 - PRO ALA THR ILE MET MET GLN ARG GLY ASN n/a n/a
408 3KF0 - 4DX C7 H14 O C[C@H]1CCC....
409 6DH4 Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
410 3EL9 Kd = 4 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
411 1K2B - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
412 1ZP8 Ki = 1.7 nM AB2 C34 H41 N5 O7 S CC(C)CN(C[....
413 6DJ1 Ki = 0.031 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
414 3JW2 - 017 C27 H37 N3 O7 S CC(C)C[N@@....
415 2O4K Kd = 35 pM DR7 C38 H52 N6 O7 CC(C)(C)[C....
416 1HPO Ki = 0.6 nM UNI C28 H28 N2 O5 S c1cc(cc(c1....
417 3LZV Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
418 6DH3 Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
419 3H5B ic50 = 26 nM 031 C30 H39 N3 O8 S COc1ccc(cc....
420 1AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
421 1EC3 Ki = 0.92 nM MS3 C42 H52 N6 O8 CC(C)[C@@H....
422 3EKP Kd = 1.3 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
423 4EJ8 Kd = 4.1 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
424 3I7E ic50 = 1.2 nM DJR C28 H38 N2 O8 S CC(C)C[N@@....
425 2O4S Kd = 31 pM AB1 C37 H48 N4 O5 Cc1cccc(c1....
426 4EJD Kd = 14.5 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
427 2Q54 Ki = 0.98 nM MU1 C37 H44 N4 O7 CC(C)[C@@H....
428 3KDD Kd = 3.45 nM JZQ C33 H35 F2 N3 O6 S CC1([C@H](....
429 2F80 Ki = 6.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
430 1TCX Ki = 112 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
431 5IVS ic50 = 6.1 nM 6EF C38 H42 N4 O6 COC(=O)N[C....
432 4QJ2 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
433 8HVP Ki < 1 nM VAL SER GLN ASN LOV ILE VAL n/a n/a
434 3TL9 - ROC C38 H50 N6 O5 CC(C)(C)NC....
435 3TLH Ki = 1.5 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
436 2QNN Ki = 0.07 uM QN1 C34 H31 F6 N5 O6 S2 c1cc(ccc1C....
437 3KFS - 3TL C50 H64 N6 O10 C[C@@H](C(....
438 6CDL Ki = 0.012 nM GR5 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
439 1M0B Ki = 1.53 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
440 2Q63 Ki = 9.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
441 4QGI - ROC C38 H50 N6 O5 CC(C)(C)NC....
442 1D4Y Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
443 6C8Y - BVR C27 H36 B N2 O9 S B(=O)(c1cc....
444 5KAO - G43 C29 H39 Cl N2 O9 S CC(C)CN(C[....
445 1SGU Ki = 4235 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
446 1A30 Ki = 50 uM GLU ASP LEU n/a n/a
447 2QI3 Ki = 0.063 nM MZ5 C27 H37 N3 O5 S2 CC[C@H](C)....
448 4EYR ic50 = 237 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
449 3D1Y Ki = 6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
450 6OOU - 017 C27 H37 N3 O7 S CC(C)C[N@@....
451 2PYM Ki = 18 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
452 4U8W Ki = 0.0058 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
453 2A4F - AAU C36 H39 N3 O8 COc1cc(ccc....
454 3B80 - ASN LEU LNT GLN ILE n/a n/a
455 4DQE - 017 C27 H37 N3 O7 S CC(C)C[N@@....
456 5KR1 Ki = 0.32 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
457 2I4W Ki = 2.6 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
458 5WLO ic50 = 46 nM GR7 C32 H42 N2 O9 S COc1ccc2c(....
459 3OUA - GLY ASN PHE LEU GLN SER ARG n/a n/a
460 2R3W Ki = 0.128 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
461 3TKG - ROC C38 H50 N6 O5 CC(C)(C)NC....
462 3GI5 Ki = 0.006 nM K62 C33 H37 N3 O9 S CC(C)C[N@@....
463 6OXY - NG4 C29 H40 N2 O9 S CC(C)CN(C[....
464 1BWB Ki = 3.8 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
465 4K4Q - 06B C9 H9 Br O4 COc1ccc(c(....
466 1WBK - 568 C34 H40 N2 O9 c1ccc(cc1)....
467 3EKT Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
468 1C6Y Ki = 0.31 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
469 2O4L Kd = 608 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
470 3OXC Ki = 0.8 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
471 3BVA Ka = 31.7 M^-1 2NC C35 H68 N11 O8 CCCC[C@@H]....
472 1MSM Kd = 33 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
473 2AZB ic50 = 64 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
474 4I8W Ki = 12.7 pM G07 C28 H36 N2 O9 S CC(C)CN(C[....
475 2CEM Ki = 12 nM 2AH C39 H45 N5 O6 CC(C)(C)[C....
476 4CPX - V78 C40 H55 N5 O6 S CC(C)[C@H]....
477 4GYE - ILO VAL PUK GLU ALA NLE n/a n/a
478 1B6M Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
479 5ULT Ki = 0.014 nM 8FM C30 H40 N2 O8 S CC(C)CN(C[....
480 2WL0 Ki = 16 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
481 1HEF Ki = 1 nM ALA ALA PJJ VAL VME n/a n/a
482 4TVG - IVA VAL VAL STA ALA STA n/a n/a
483 1F7A - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
484 3LZU Kd = 0.087 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
485 4OBK - ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO n/a n/a
486 3TH9 Ki = 20 nM 9Y9 C25 H33 F N2 O5 S C[C@H]1Cc2....
487 3NUO Ki = 0.16 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
488 3KFP - 3TL C50 H64 N6 O10 C[C@@H](C(....
489 2O4P Kd = 19 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
490 3A2O Ki = 0.83 nM KNJ C30 H40 N4 O5 S Cc1cc(cc(c....
491 1BV9 Ki = 1.1 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
492 1HVL Ki = 1000 pM A76 C44 H58 N8 O6 CC(C)[C@@H....
493 3OUC - THR ILE MET MET GLN ARG GLY n/a n/a
494 1K1T - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
495 1XL2 Ki = 1.5 uM 189 C33 H43 N3 O4 S Cc1cccc(c1....
496 1ODY Ki = 8 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
497 2PK5 Kd = 20 pM 075 C40 H45 N5 O9 S2 CC1([C@H](....
498 2CEJ Ki = 2.4 nM 1AH C34 H41 Br N4 O6 CC(C)(C)[C....
499 3PWR - ROC C38 H50 N6 O5 CC(C)(C)NC....
500 1FF0 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
501 4OBD - ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO n/a n/a
502 3I6O ic50 = 7 nM GR6 C32 H42 N2 O9 S COc1ccc2c(....
503 1TSQ - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
504 1MEU Ki = 0.8 uM DMP C35 H38 N2 O5 c1ccc(cc1)....
505 2FXE - DR7 C38 H52 N6 O7 CC(C)(C)[C....
506 1HOS Ki = 2.8 nM PHP C42 H51 N4 O8 P CC(C)[C@@H....
507 1MT7 - VAL SER GLN ASN TYR PRO ILE VAL GLN ASN n/a n/a
508 1HVS Ki = 50 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
509 3R0Y ic50 = 14.53 uM RSZ C34 H39 N5 O5 CC(C)[C@@H....
510 1FGC - 2NC C35 H68 N11 O8 CCCC[C@@H]....
511 4CPT Ki = 20 nM 1T8 C41 H54 N6 O6 CC(C)[C@H]....
512 1DIF Ki = 22 pM A85 C44 H56 F2 N8 O6 CC(C)[C@@H....
513 1D4L Ki = 1.7 nM PI9 C32 H48 N4 O6 S CC(C)CC[N@....
514 4OBH - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
515 3KFR - 3TL C50 H64 N6 O10 C[C@@H](C(....
516 2I0A Ki = 0.004 nM MUI C33 H39 N3 O8 S CC(C)C[N@@....
517 1EC1 Ki = 1.2 nM BEE C40 H50 N4 O8 S2 CC(C)[C@@H....
518 6DH6 Ki = 117.2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
519 1ZSF Ki = 0.12 nM 0ZS C38 H49 N5 O8 CC(C)(C)OC....
520 2FGU Kd = 0.66 nM QNC ASN HPH DIQ NTB n/a n/a
521 3NU3 Ki = 0.15 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
522 2FNT - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
523 1KJH - ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE n/a n/a
524 3S54 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
525 6U7O Ki = 15.5 uM Q1D C29 H39 B N2 O9 S B(c1ccc(cc....
526 2PSU Ki = 24 nM MUU C26 H35 N3 O6 S CNC(=O)CCC....
527 4K4P - 3TL C50 H64 N6 O10 C[C@@H](C(....
528 2AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
529 5AH7 - C7J C27 H36 Cl N3 O7 S CC(C)CN(CC....
530 3GGA - GGW C39 H53 N5 O7 CC(C)(C)[C....
531 6OXX - NF7 C29 H40 N2 O9 S CC(C)CN(C[....
532 3BXR Ki = 0.8 uM DRR C37 H51 N5 O7 CC[C@H](C)....
533 1KJF - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
534 1SBG Ki = 18 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
535 2NMZ - ROC C38 H50 N6 O5 CC(C)(C)NC....
536 3DJK Ki = 26 pM G55 C27 H38 N2 O8 S CC(C)C[N@@....
537 4DFG Ki = 1.8 pM 0JV C31 H43 N3 O9 S CC(C)CN(C[....
538 1EC2 Ki = 0.1 nM BEJ C42 H52 N6 O8 CC(C)[C@@H....
539 1YTH - ACE SER LEU ASN PHE n/a n/a
540 3HDK Kd = 17.5 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
70% Homology Family (562)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 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 Kd = 9.7 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 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
36 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
37 6E9A ic50 = 48.3 nM J0S C28 H37 N3 O8 S CC(C)CN(C[....
38 4FLG - GLN ILE ILE n/a n/a
39 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
40 6CDJ Ki = 2 pM GR8 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
41 4CPU Ki = 29.5 nM V78 C40 H55 N5 O6 S CC(C)[C@H]....
42 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
43 6OXR - NJA C29 H40 N2 O8 S C[C@@H](c1....
44 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
45 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
46 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
47 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
48 3B7V - ASN LEU LNT GLN ILE n/a n/a
49 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
50 1B6J Ki = 12 nM PI1 C34 H53 N7 O8 CC[C@H](C)....
51 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
52 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
53 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
54 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
55 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
56 6DH5 - A60 C29 H41 N3 O7 S CCC(CC)C[N....
57 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
58 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
59 5JFU Ki = 8.5 nM 6KQ C35 H46 N2 O8 S COc1ccc(cc....
60 4GZF ic50 = 142 nM ILO VAL DC0 GLU ALA NLE n/a n/a
61 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
62 5IVQ - 6EH C24 H31 N3 O4 COC(=O)N[C....
63 4CPQ - 9MW C43 H58 N6 O6 CC(C)[C@@H....
64 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
65 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
66 6B3F - CKV C34 H34 F3 N3 O3 S C[C@H]1CN(....
67 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
68 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
69 6OXW - NFJ C31 H44 N2 O8 S CCC(CC)CN(....
70 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
71 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
72 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
73 6DGX Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
74 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
75 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
76 4CPW - V78 C40 H55 N5 O6 S CC(C)[C@H]....
77 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
78 4LL3 Kd = 2.7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
79 6OOT - 017 C27 H37 N3 O7 S CC(C)C[N@@....
80 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
81 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
82 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
83 1FG6 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
84 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
85 3HBO Kd = 8.2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
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 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
97 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
98 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
99 5COK - 52U C29 H40 N2 O8 S CC(C)CN(C[....
100 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
101 5JG1 Ki = 1.9 nM 6KR C33 H50 N2 O8 S CC(C)CN(C[....
102 6OXZ - NJG C30 H42 N2 O9 S CC[C@H](C)....
103 2NNP - ROC C38 H50 N6 O5 CC(C)(C)NC....
104 3KFN - 4DX C7 H14 O C[C@H]1CCC....
105 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
106 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
107 6DV0 Ki = 0.38 nM GA8 C36 H47 N3 O7 S2 CC(C)CN(C[....
108 1VIK Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
109 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
110 2I4X Kd = 9.7 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
111 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
112 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
113 4OBJ - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
114 1FFI - 2NC C35 H68 N11 O8 CCCC[C@@H]....
115 4CPR Ki = 35 nM 378 C42 H57 N5 O6 S CC(C)[C@@H....
116 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
117 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
118 6OXQ - F53 C30 H42 N2 O8 S CCC(CC)C[N....
119 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
120 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
121 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
122 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
123 5KR2 Ki = 3.3 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
124 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
125 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
126 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co [B@H]12[BH....
127 2NXM Kd = 0.54 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
128 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
129 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
130 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
131 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
132 5COP - 53F C29 H41 N3 O9 S CC(C)CN(C[....
133 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
134 4ZLS Ki = 0.82 nM G61 C34 H46 N2 O8 S CC(C)CN(C[....
135 5BS4 Ki = 0.0099 nM 4UX C28 H40 N4 O7 S CC(C)CN(C[....
136 6D0D - FQ4 C29 H39 F N2 O8 S CC(C)CN(C[....
137 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
138 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co [B@H]12[BH....
139 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
140 6DJ5 - G52 C30 H40 N2 O9 S CC(C)C[N@@....
141 4CP7 Ki = 7.8 nM 9MW C43 H58 N6 O6 CC(C)[C@@H....
142 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
143 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
144 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
145 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
146 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
147 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
148 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
149 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
150 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
151 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
152 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
153 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
154 4QJA - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
155 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
156 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
157 6B36 - CKD C33 H32 F3 N3 O3 S c1ccc(cc1)....
158 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
159 4Q1W Ki = 2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
160 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
161 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
162 6DGY Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
163 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
164 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
165 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
166 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
167 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
168 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
169 1K2C - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
170 1ODX - 0E8 C30 H45 N3 O6 CC(C)(C)OC....
171 4QJ9 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
172 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
173 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
174 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
175 6OXT - NEJ C30 H42 N2 O8 S CC[C@H](C)....
176 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
177 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
178 6DJ2 Ki = 4.5 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
179 6BZ2 Ki = 14 pM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
180 2Q64 Ki = 0.07 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
181 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
182 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
183 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
184 5JFP Ki = 0.48 nM 6KK C32 H48 N2 O8 S CC(C)CN(C[....
185 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
186 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
187 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
188 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
189 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
190 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
191 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
192 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
193 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
194 1FFF - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
195 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
196 5DGW Ki = 0.009 nM 5B5 C31 H45 N3 O8 S CCN[C@H]1C....
197 6OY2 - NJJ C31 H44 N2 O9 S CCC(CC)CN(....
198 1NH0 Ki ~ 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
199 6U7P - B4R C28 H39 B N2 O9 S B(c1ccc(cc....
200 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 CC(C)(C)OC....
201 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
202 4U7Q Ki = 180 pM 3EM C43 H51 N5 O8 S CCN(CC)c1c....
203 1BDQ Ki = 460 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
204 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
205 6DIL Ki = 7.6 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
206 4CPS - 1T8 C41 H54 N6 O6 CC(C)[C@H]....
207 2NMY - ROC C38 H50 N6 O5 CC(C)(C)NC....
208 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
209 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
210 1DAZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
211 5CON - 52W C29 H40 N2 O9 S CC(C)CN(C[....
212 4QJ8 - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
213 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
214 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
215 6OXP - K2A C29 H40 N2 O8 S CC[C@H](C)....
216 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
217 1MTB - QNC ASN HPH DIQ NTB n/a n/a
218 1FG8 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
219 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
220 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
221 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
222 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
223 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
224 6DV4 Ki = 1.6 nM GA5 C37 H49 N3 O8 S CC(C)CN(C[....
225 2IEN Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
226 6DH2 Ki = 12.8 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
227 1SP5 - TYR ASP GLN ILE LEU n/a n/a
228 5IVT ic50 = 0.8 nM 6EE C30 H30 Cl F6 N5 O4 c1cc(ccc1[....
229 6C8X Ki = 0.5 pM BVR C27 H36 B N2 O9 S B(=O)(c1cc....
230 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
231 1VIJ Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
232 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
233 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
234 6E7J ic50 = 436 nM HWY C34 H41 N3 O8 S CC(C)CN(C[....
235 6MCR - JDY C33 H41 F N4 O7 S2 CC(C)CN(C[....
236 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
237 3CYX Ki = 10 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
238 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
239 1EBK - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
240 5UOV Ki = 0.025 nM 8FP C37 H44 N4 O6 S2 Cc1csc(n1)....
241 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
242 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
243 5UPZ Ki = 0.63 nM 8HD C35 H42 N4 O7 S Cc1coc(n1)....
244 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
245 6OTG Ki = 31.4 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
246 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
247 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
248 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
249 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
250 1K1U - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
251 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
252 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
253 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
254 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
255 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
256 6OXS - NJ4 C29 H40 N2 O8 S C[C@H](c1c....
257 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
258 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
259 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
260 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
261 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
262 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
263 1DW6 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
264 1BWA Ki = 2.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
265 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
266 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
267 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
268 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
269 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
270 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
271 3NWX - KVS C36 H68 N10 O10 [H]/N=C(N)....
272 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
273 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
274 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
275 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
276 2J9K - 2NC C35 H68 N11 O8 CCCC[C@@H]....
277 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
278 2NPH - TYR VAL ASP GLY ALA n/a n/a
279 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
280 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
281 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
282 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
283 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
284 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
285 5KQZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
286 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
287 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
288 3BVB Ka = 3300000 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
289 5KR0 Ki = 0.71 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
290 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
291 2NXL Kd = 6.2 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
292 4TVH - 3TL C50 H64 N6 O10 C[C@@H](C(....
293 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
294 6OXV - NF4 C31 H44 N2 O8 S CCC(CC)CN(....
295 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
296 6OOS - 017 C27 H37 N3 O7 S CC(C)C[N@@....
297 7HVP Ki = 0.24 nM ACE SER LEU ASN JG3 ILE VME n/a n/a
298 2R5P Ki = 3.3 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
299 6OY1 - NJ1 C31 H44 N2 O9 S CCC(CC)CN(....
300 1LZQ Ki = 4.1 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
301 1A94 Ki = 14 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
302 1HVK Ki = 77 pM A79 C44 H58 N8 O6 CC(C)[C@@H....
303 6DH1 Ki = 26.1 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
304 2R38 Ki = 0.036 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
305 3BXS Ki = 8 uM DRS C19 H26 N2 O5 CC(C)[C@H]....
306 2QD7 Ki = 0.8 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
307 6B3C - CKS C34 H34 F3 N3 O3 S C[C@@H]1CN....
308 3DK1 Ki = 0.18 nM G05 C29 H40 N2 O8 S CC(C)C[N@@....
309 2BB9 ic50 = 0.44 nM AKC C36 H39 N3 O7 CCOCCOC(=O....
310 1HEG Ki = 18 nM PSI C29 H47 N5 O7 C[C@@H](C(....
311 6OPT - 017 C27 H37 N3 O7 S CC(C)C[N@@....
312 4FL8 - GLN ILE IL0 ILE GLU ILE ALA n/a n/a
313 4Q1Y Ki = 45 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
314 2FGV Kd = 760 nM QNC ASN HPH DIQ NTB n/a n/a
315 1EC0 Ki = 3.2 nM BED C38 H38 F2 N2 O8 c1ccc2c(c1....
316 1K6C Kd = 33 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
317 1MSN Kd = 81 nM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
318 6DGZ Ki < 5 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
319 2PSV Ki = 58 nM MUV C23 H31 N3 O6 S CNC(=O)CCC....
320 1DMP Ki = 0.28 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
321 2QNP Ki = 0.39 uM QN2 C30 H29 I2 N3 O4 S2 c1ccc(cc1)....
322 3S53 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
323 1HXB Ki = 0.12 nM ROC