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Receptor
PDB id Resolution Class Description Source Keywords
1EC3 1.8 Å EC: 3.4.23.16 HIV-1 PROTEASE IN COMPLEX WITH THE INHIBITOR MSA367 HUMAN IMMUNODEFICIENCY VIRUS 1 DIMER PROTEIN-INHIBITOR COMPLEX HYDROLASE-HYDROLASE INHIBICOMPLEX
Ref.: OPTIMIZATION OF P1-P3 GROUPS IN SYMMETRIC AND ASYMM HIV-1 PROTEASE INHIBITORS EUR.J.BIOCHEM. V. 270 1746 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MS3 A:501;
Valid;
none;
Ki = 0.92 nM
768.898 C42 H52 N6 O8 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 (511)
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 4K4R - 3TL C50 H64 N6 O10 C[C@@H](C(....
12 3CKT Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
13 2AVS Ki = 27 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
14 2IDW Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
15 2I4V Kd = 9.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
16 1NPV ic50 = 5.7 nM L27 C35 H37 N3 O6 c1ccc(cc1)....
17 1HIV Ki < 1 nM 1ZK C45 H62 N7 O7 CC[C@H](C)....
18 4I8Z Ki = 8.9 pM G08 C28 H37 N3 O8 S CC(C)CN(C[....
19 2F3K Kd = 0.95 nM RO1 C37 H53 N5 O7 S CC(C)(C)NC....
20 4ZIP Ki = 0.21 nM G64 C37 H46 N4 O7 S Cc1cc(cc(c....
21 3R4B - 74T C38 H53 N5 O7 S2 CC(C)C[N@@....
22 1AJV Ki = 19.1 nM NMB C32 H34 N2 O6 S c1ccc(cc1)....
23 4U7V Ki = 3.2 uM 3EN C28 H36 N4 O4 S CC(C)[C@@H....
24 6DJ7 Ki = 1.9 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
25 1GNM Ki = 560 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
26 3KDB Kd = 0.14 nM 006 C35 H41 N3 O6 S Cc1cccc(c1....
27 6DH8 Ki = 146.2 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
28 1B6K Ki = 1.8 nM PI5 C37 H53 N5 O7 CC[C@H](C)....
29 4DQF - 017 C27 H37 N3 O7 S CC(C)C[N@@....
30 1QBT Ki = 0.024 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
31 5COO - 52Z C30 H42 N2 O10 S CC(C)CN(C[....
32 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
33 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
34 6E9A ic50 = 48.3 nM J0S C28 H37 N3 O8 S CC(C)CN(C[....
35 4FLG - GLN ILE ILE n/a n/a
36 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
37 6CDJ Ki = 2 pM GR8 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
38 4CPU Ki = 29.5 nM V78 C40 H55 N5 O6 S CC(C)[C@H]....
39 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
40 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
41 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
42 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
43 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
44 3B7V - ASN LEU LNT GLN ILE n/a n/a
45 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
46 1B6J Ki = 12 nM PI1 C34 H53 N7 O8 CC[C@H](C)....
47 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
48 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
49 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
50 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
51 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
52 6DH5 - A60 C29 H41 N3 O7 S CCC(CC)C[N....
53 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
54 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
55 5JFU Ki = 8.5 nM 6KQ C35 H46 N2 O8 S COc1ccc(cc....
56 4GZF ic50 = 142 nM ILO VAL DC0 GLU ALA NLE n/a n/a
57 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
58 5IVQ - 6EH C24 H31 N3 O4 COC(=O)N[C....
59 4CPQ - 9MW C43 H58 N6 O6 CC(C)[C@@H....
60 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
61 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
62 6B3F - CKV C34 H34 F3 N3 O3 S C[C@H]1CN(....
63 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
64 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
65 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
66 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
67 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
68 6DGX Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
69 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
70 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
71 4CPW - V78 C40 H55 N5 O6 S CC(C)[C@H]....
72 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
73 4LL3 Kd = 2.7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
74 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
75 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
76 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
77 1FG6 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
78 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
79 3HBO Kd = 8.2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
80 4HE9 Ki = 3.5 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
81 1BV7 Ki = 0.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
82 1HPS Ki = 0.6 nM RUN C38 H46 N4 O5 CC(C)[C@@H....
83 2I4U Ki = 2.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
84 5AH9 - C7L C30 H43 N3 O9 S CC(C)CN(C[....
85 5IVR - 6EG C34 H38 N4 O4 COC(=O)N[C....
86 6DH0 Ki = 25.6 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
87 4EJL Kd = 7.2 uM IOP C11 H11 N O2 c1ccc2c(c1....
88 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
89 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
90 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
91 5COK - 52U C29 H40 N2 O8 S CC(C)CN(C[....
92 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
93 5JG1 Ki = 1.9 nM 6KR C33 H50 N2 O8 S CC(C)CN(C[....
94 2NNP - ROC C38 H50 N6 O5 CC(C)(C)NC....
95 3KFN - 4DX C7 H14 O C[C@H]1CCC....
96 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
97 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
98 6DV0 Ki = 0.38 nM GA8 C36 H47 N3 O7 S2 CC(C)CN(C[....
99 1VIK Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
100 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
101 2I4X Kd = 9.7 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
102 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
103 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
104 4OBJ - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
105 1FFI - 2NC C35 H68 N11 O8 CCCC[C@@H]....
106 4CPR Ki = 35 nM 378 C42 H57 N5 O6 S CC(C)[C@@H....
107 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
108 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
109 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
110 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
111 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
112 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
113 5KR2 Ki = 3.3 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
114 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
115 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
116 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co [B@H]12[BH....
117 2NXM Kd = 0.54 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
118 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
119 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
120 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
121 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
122 5COP - 53F C29 H41 N3 O9 S CC(C)CN(C[....
123 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
124 4ZLS Ki = 0.82 nM G61 C34 H46 N2 O8 S CC(C)CN(C[....
125 5BS4 Ki = 0.0099 nM 4UX C28 H40 N4 O7 S CC(C)CN(C[....
126 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
127 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co [B@H]12[BH....
128 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
129 6DJ5 - G52 C30 H40 N2 O9 S CC(C)C[N@@....
130 4CP7 Ki = 7.8 nM 9MW C43 H58 N6 O6 CC(C)[C@@H....
131 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
132 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
133 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
134 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
135 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
136 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
137 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
138 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
139 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
140 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
141 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
142 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
143 4QJA - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
144 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
145 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
146 6B36 - CKD C33 H32 F3 N3 O3 S c1ccc(cc1)....
147 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
148 4Q1W Ki = 2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
149 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
150 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
151 6DGY Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
152 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
153 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
154 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
155 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
156 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
157 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
158 1K2C - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
159 1ODX - 0E8 C30 H45 N3 O6 CC(C)(C)OC....
160 4QJ9 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
161 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
162 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
163 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
164 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
165 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
166 6DJ2 Ki = 4.5 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
167 6BZ2 Ki = 14 pM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
168 2Q64 Ki = 0.07 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
169 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
170 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
171 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
172 5JFP Ki = 0.48 nM 6KK C32 H48 N2 O8 S CC(C)CN(C[....
173 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
174 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
175 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
176 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
177 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
178 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
179 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
180 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
181 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
182 1FFF - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
183 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
184 5DGW Ki = 0.009 nM 5B5 C31 H45 N3 O8 S CCN[C@H]1C....
185 1NH0 Ki ~ 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
186 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 CC(C)(C)OC....
187 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
188 4U7Q Ki = 180 pM 3EM C43 H51 N5 O8 S CCN(CC)c1c....
189 1BDQ Ki = 460 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
190 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
191 6DIL Ki = 7.6 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
192 4CPS - 1T8 C41 H54 N6 O6 CC(C)[C@H]....
193 2NMY - ROC C38 H50 N6 O5 CC(C)(C)NC....
194 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
195 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
196 1DAZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
197 5CON - 52W C29 H40 N2 O9 S CC(C)CN(C[....
198 4QJ8 - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
199 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
200 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
201 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
202 1MTB - QNC ASN HPH DIQ NTB n/a n/a
203 1FG8 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
204 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
205 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
206 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
207 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
208 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
209 6DV4 Ki = 1.6 nM GA5 C37 H49 N3 O8 S CC(C)CN(C[....
210 2IEN Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
211 6DH2 Ki = 12.8 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
212 1SP5 - TYR ASP GLN ILE LEU n/a n/a
213 5IVT ic50 = 0.8 nM 6EE C30 H30 Cl F6 N5 O4 c1cc(ccc1[....
214 6C8X Ki = 0.5 pM BVR C27 H36 B N2 O9 S B(=O)(c1cc....
215 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
216 1VIJ Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
217 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
218 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
219 6E7J ic50 = 436 nM HWY C34 H41 N3 O8 S CC(C)CN(C[....
220 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
221 3CYX Ki = 10 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
222 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
223 1EBK - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
224 5UOV Ki = 0.025 nM 8FP C37 H44 N4 O6 S2 Cc1csc(n1)....
225 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
226 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
227 5UPZ Ki = 0.63 nM 8HD C35 H42 N4 O7 S Cc1coc(n1)....
228 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
229 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
230 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
231 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
232 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
233 1K1U - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
234 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
235 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
236 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
237 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
238 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
239 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
240 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
241 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
242 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
243 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
244 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
245 1DW6 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
246 1BWA Ki = 2.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
247 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
248 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
249 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
250 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
251 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
252 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
253 3NWX - KVS C36 H66 N10 O10 [H]/N=C(\N....
254 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
255 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
256 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
257 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
258 2J9K - 2NC C35 H68 N11 O8 CCCC[C@@H]....
259 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
260 2NPH - TYR VAL ASP GLY ALA n/a n/a
261 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
262 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
263 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
264 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
265 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
266 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
267 5KQZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
268 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
269 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
270 3BVB Ka = 3300000 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
271 5KR0 Ki = 0.71 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
272 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
273 2NXL Kd = 6.2 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
274 4TVH - 3TL C50 H64 N6 O10 C[C@@H](C(....
275 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
276 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
277 7HVP Ki = 0.24 nM ACE SER LEU ASN JG3 ILE VME n/a n/a
278 2R5P Ki = 3.3 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
279 1LZQ Ki = 4.1 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
280 1A94 Ki = 14 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
281 1HVK Ki = 77 pM A79 C44 H58 N8 O6 CC(C)[C@@H....
282 6DH1 Ki = 26.1 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
283 2R38 Ki = 0.036 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
284 3BXS Ki = 8 uM DRS C19 H26 N2 O5 CC(C)[C@H]....
285 2QD7 Ki = 0.8 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
286 6B3C - CKS C34 H34 F3 N3 O3 S C[C@@H]1CN....
287 3DK1 Ki = 0.18 nM G05 C29 H40 N2 O8 S CC(C)C[N@@....
288 2BB9 ic50 = 0.44 nM AKC C36 H39 N3 O7 CCOCCOC(=O....
289 1HEG Ki = 18 nM PSI C29 H47 N5 O7 C[C@@H](C(....
290 4FL8 - GLN ILE IL0 ILE GLU ILE ALA n/a n/a
291 4Q1Y Ki = 45 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
292 2FGV Kd = 760 nM QNC ASN HPH DIQ NTB n/a n/a
293 1EC0 Ki = 3.2 nM BED C38 H38 F2 N2 O8 c1ccc2c(c1....
294 1K6C Kd = 33 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
295 1MSN Kd = 81 nM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
296 6DGZ Ki < 5 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
297 2PSV Ki = 58 nM MUV C23 H31 N3 O6 S CNC(=O)CCC....
298 1DMP Ki = 0.28 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
299 2QNP Ki = 0.39 uM QN2 C30 H29 I2 N3 O4 S2 c1ccc(cc1)....
300 3S53 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
301 1HXB Ki = 0.12 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
302 1HSG Ki = 2.45 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
303 1IIQ Ki = 33 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
304 2AZ8 ic50 = 6 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
305 4QJ7 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
306 5TYR ic50 = 0.26 nM 7O7 C33 H42 N4 O7 S2 CC(C)CN(C[....
307 2QI1 Ki = 50 nM MZ4 C29 H30 N2 O7 S2 COc1cccc(c....
308 1RL8 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
309 2AVO Ki = 1.4 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
310 6B4N ic50 = 6.2 nM G53 C32 H39 N3 O10 S CC(C)CN(C[....
311 3NU6 Ki = 0.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
312 3DCR ic50 = 6.3 nM KVS C36 H66 N10 O10 [H]/N=C(\N....
313 1YTG - PRO ILE VAL NH2 n/a n/a
314 4FE6 Ki < 0.3 nM 0TQ C32 H42 N4 O8 S CC(C)CN(C[....
315 5BRY Ki = 0.0015 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
316 4DJQ Ki = 0.048 nM M86 C28 H40 N4 O7 S CC[C@H](C)....
317 1HXW Ki = 15 pM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
318 4HDB Ki = 8.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
319 1T7I - 017 C27 H37 N3 O7 S CC(C)C[N@@....
320 1KJG - GLY ALA GLU THR PHE TYR VAL ASP GLY ALA n/a n/a
321 4OBG - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
322 1AAQ Ki = 3 nM PSI C29 H47 N5 O7 C[C@@H](C(....
323 3NU9 Ki = 0.9 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
324 2QNQ Kd = 0.77 uM QN3 C30 H29 Cl2 N3 O4 S2 c1ccc(cc1)....
325 5DGU Ki = 0.0045 nM 5B7 C30 H42 N2 O9 S CC(C)CN(C[....
326 4A6C Ki = 4.2 nM QG9 C43 H51 N5 O6 CC(C)(C)[C....
327 5KQY Ki = 0.51 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
328 1MRX Kd = 55 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
329 2UY0 Ki = 120 nM HV1 C36 H43 Br N4 O7 CC(C)(C)[C....
330 2QD8 Ki = 0.85 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
331 1HVJ Ki = 4 pM A78 C44 H60 N8 O5 CC(C)[C@@H....
332 3EKY Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
333 1T7J Ka = 17000000000 M^-1 478 C25 H35 N3 O6 S CC(C)C[N@]....
334 6B3G - CKY C34 H34 F3 N3 O3 S C[C@H]1CNC....
335 1MES Ki = 20 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
336 6DIF Ki = 0.019 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
337 3KDC Kd = 0.52 nM JZP C33 H35 Cl2 N3 O6 S CC1([C@H](....
338 3NUJ Ki = 0.41 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
339 2FLE Ki = 14 nM AI C44 H64 N8 O6 CC(C)[C@@H....
340 3HAW Kd = 1.01 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
341 3EKV Kd = 0.39 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
342 2QI4 Ki = 0.036 nM MZ6 C29 H33 N3 O5 S2 CC[C@H](C)....
343 4QJ6 - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
344 5YOK - 8Z0 C41 H48 N4 O8 S Cc1cccc(c1....
345 6B38 - CKM C34 H34 F3 N3 O3 S C[C@@H]1CN....
346 3GI4 Ki = 0.016 nM K60 C32 H34 F3 N3 O8 S CC(C)C[N@@....
347 4OBF - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
348 1GNN Ki = 2100 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
349 2WKZ Ki = 1.7 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
350 5YOJ - 8Z0 C41 H48 N4 O8 S Cc1cccc(c1....
351 1ZSR Ki = 0.15 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
352 6DH7 Ki = 131.3 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
353 3BC4 Ki = 4.5 uM LLG C14 H15 N O2 c1ccc2c(c1....
354 2AOC Ki = 13 uM UNX 2NC n/a n/a
355 2ZGA Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
356 3BGB Ki = 0.9 uM LJG C24 H39 N5 O4 S2 CC(C)CN(CC....
357 2PK6 Kd = 13 pM O33 C40 H45 N5 O7 S2 CC1([C@H](....
358 4A6B Ki = 12 nM QG8 C44 H52 N4 O6 CC(C)(C)[C....
359 4DJR Ki = 0.003 nM 0KJ C28 H36 N4 O6 S2 CC[C@H](C)....
360 5KQX Ki = 3.6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
361 1A8G Ki = 7.4 nM 2Z4 C46 H59 N5 O9 CC(C)[C@@H....
362 1HIH Ki = 9 nM C20 C31 H51 N5 O5 CC(C)[C@@H....
363 1KZK Ki = 41 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
364 4Q1X Ki = 7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
365 6BRA - SER GLY ILE PHE LEU GLU THR SER n/a n/a
366 2P3A Ki = 11 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
367 3OU3 - LEU ASN PHE PRO ILE SER PRO n/a n/a
368 2Q55 Ki = 2.04 nM MU0 C37 H45 N5 O6 CC(C)[C@@H....
369 1HTG ic50 = 3.8 nM G37 C42 H47 N7 O5 S CC1([C@@H]....
370 2PYN Ki = 7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
371 2NNK - ROC C38 H50 N6 O5 CC(C)(C)NC....
372 1HPV Ki = 0.6 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
373 1D4J Ki = 4.4 nM MSC C36 H36 Cl F N2 O7 c1ccc(cc1)....
374 4DQB - 017 C27 H37 N3 O7 S CC(C)C[N@@....
375 1A8K - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
376 3NYG - 2NC C35 H68 N11 O8 CCCC[C@@H]....
377 3D20 Ki = 5 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
378 1FEJ - 2NC C35 H68 N11 O8 CCCC[C@@H]....
379 1C6Z - ROC C38 H50 N6 O5 CC(C)(C)NC....
380 5TYS ic50 = 0.019 nM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
381 2F81 Ki = 0.03 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
382 1KJ7 - PRO ALA THR ILE MET MET GLN ARG GLY ASN n/a n/a
383 3KF0 - 4DX C7 H14 O C[C@H]1CCC....
384 6DH4 Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
385 3EL9 Kd = 4 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
386 1K2B - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
387 1ZP8 Ki = 1.7 nM AB2 C34 H41 N5 O7 S CC(C)CN(C[....
388 6DJ1 Ki = 0.031 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
389 3JW2 - 017 C27 H37 N3 O7 S CC(C)C[N@@....
390 2O4K Kd = 35 pM DR7 C38 H52 N6 O7 CC(C)(C)[C....
391 1HPO Ki = 0.6 nM UNI C28 H28 N2 O5 S c1cc(cc(c1....
392 3LZV Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
393 6DH3 Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
394 3H5B ic50 = 26 nM 031 C30 H39 N3 O8 S COc1ccc(cc....
395 1AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
396 1EC3 Ki = 0.92 nM MS3 C42 H52 N6 O8 CC(C)[C@@H....
397 3EKP Kd = 1.3 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
398 4EJ8 Kd = 4.1 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
399 3I7E ic50 = 1.2 nM DJR C28 H38 N2 O8 S CC(C)C[N@@....
400 2O4S Kd = 31 pM AB1 C37 H48 N4 O5 Cc1cccc(c1....
401 4EJD Kd = 14.5 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
402 2Q54 Ki = 0.98 nM MU1 C37 H44 N4 O7 CC(C)[C@@H....
403 3KDD Kd = 3.45 nM JZQ C33 H35 F2 N3 O6 S CC1([C@H](....
404 2F80 Ki = 6.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
405 1TCX Ki = 112 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
406 5IVS ic50 = 6.1 nM 6EF C38 H42 N4 O6 COC(=O)N[C....
407 4QJ2 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
408 8HVP Ki < 1 nM VAL SER GLN ASN LOV ILE VAL n/a n/a
409 3TL9 - ROC C38 H50 N6 O5 CC(C)(C)NC....
410 3TLH Ki = 1.5 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
411 2QNN Ki = 0.07 uM QN1 C34 H31 F6 N5 O6 S2 c1cc(ccc1C....
412 3KFS - 3TL C50 H64 N6 O10 C[C@@H](C(....
413 6CDL Ki = 0.012 nM GR5 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
414 1M0B Ki = 1.53 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
415 2Q63 Ki = 9.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
416 4QGI - ROC C38 H50 N6 O5 CC(C)(C)NC....
417 1D4Y Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
418 6C8Y - BVR C27 H36 B N2 O9 S B(=O)(c1cc....
419 5KAO - G43 C29 H39 Cl N2 O9 S CC(C)CN(C[....
420 1SGU Ki = 4235 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
421 1A30 Ki = 50 uM GLU ASP LEU n/a n/a
422 2QI3 Ki = 0.063 nM MZ5 C27 H37 N3 O5 S2 CC[C@H](C)....
423 4EYR ic50 = 237 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
424 3D1Y Ki = 6 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
425 2PYM Ki = 18 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
426 4U8W Ki = 0.0058 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
427 2A4F - AAU C36 H39 N3 O8 COc1cc(ccc....
428 3B80 - ASN LEU LNT GLN ILE n/a n/a
429 4DQE - 017 C27 H37 N3 O7 S CC(C)C[N@@....
430 5KR1 Ki = 0.32 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
431 2I4W Ki = 2.6 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
432 5WLO ic50 = 46 nM GR7 C32 H42 N2 O9 S COc1ccc2c(....
433 3OUA - GLY ASN PHE LEU GLN SER ARG n/a n/a
434 2R3W Ki = 0.128 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
435 3TKG - ROC C38 H50 N6 O5 CC(C)(C)NC....
436 3GI5 Ki = 0.006 nM K62 C33 H37 N3 O9 S CC(C)C[N@@....
437 1BWB Ki = 3.8 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
438 4K4Q - 06B C9 H9 Br O4 COc1ccc(c(....
439 1WBK - 568 C34 H40 N2 O9 c1ccc(cc1)....
440 3EKT Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
441 1C6Y Ki = 0.31 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
442 2O4L Kd = 608 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
443 3OXC Ki = 0.8 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
444 3BVA Ka = 31.7 M^-1 2NC C35 H68 N11 O8 CCCC[C@@H]....
445 1MSM Kd = 33 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
446 2AZB ic50 = 64 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
447 4I8W Ki = 12.7 pM G07 C28 H36 N2 O9 S CC(C)CN(C[....
448 2CEM Ki = 12 nM 2AH C39 H45 N5 O6 CC(C)(C)[C....
449 4CPX - V78 C40 H55 N5 O6 S CC(C)[C@H]....
450 4GYE - ILO VAL PUK GLU ALA NLE n/a n/a
451 1B6M Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
452 5ULT Ki = 0.014 nM 8FM C30 H40 N2 O8 S CC(C)CN(C[....
453 2WL0 Ki = 16 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
454 1HEF Ki = 1 nM ALA ALA PJJ VAL VME n/a n/a
455 4TVG - IVA VAL VAL STA ALA STA n/a n/a
456 1F7A - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
457 3LZU Kd = 0.087 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
458 4OBK - ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO n/a n/a
459 3TH9 Ki = 20 nM 9Y9 C25 H33 F N2 O5 S C[C@H]1Cc2....
460 3NUO Ki = 0.16 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
461 3KFP - 3TL C50 H64 N6 O10 C[C@@H](C(....
462 2O4P Kd = 19 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
463 3A2O Ki = 0.83 nM KNJ C30 H40 N4 O5 S Cc1cc(cc(c....
464 1BV9 Ki = 1.1 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
465 1HVL Ki = 1000 pM A76 C44 H58 N8 O6 CC(C)[C@@H....
466 3OUC - THR ILE MET MET GLN ARG GLY n/a n/a
467 1K1T - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
468 1XL2 Ki = 1.5 uM 189 C33 H43 N3 O4 S Cc1cccc(c1....
469 1ODY Ki = 8 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
470 2PK5 Kd = 20 pM 075 C40 H45 N5 O9 S2 CC1([C@H](....
471 2CEJ Ki = 2.4 nM 1AH C34 H41 Br N4 O6 CC(C)(C)[C....
472 3PWR - ROC C38 H50 N6 O5 CC(C)(C)NC....
473 1FF0 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
474 4OBD - ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO n/a n/a
475 3I6O ic50 = 7 nM GR6 C32 H42 N2 O9 S COc1ccc2c(....
476 1TSQ - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
477 1MEU Ki = 0.8 uM DMP C35 H38 N2 O5 c1ccc(cc1)....
478 2FXE - DR7 C38 H52 N6 O7 CC(C)(C)[C....
479 1HOS Ki = 2.8 nM PHP C42 H51 N4 O8 P CC(C)[C@@H....
480 1MT7 - VAL SER GLN ASN TYR PRO ILE VAL GLN ASN n/a n/a
481 1HVS Ki = 50 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
482 3R0Y ic50 = 14.53 uM RSZ C34 H39 N5 O5 CC(C)[C@@H....
483 1FGC - 2NC C35 H68 N11 O8 CCCC[C@@H]....
484 4CPT Ki = 20 nM 1T8 C41 H54 N6 O6 CC(C)[C@H]....
485 1DIF Ki = 22 pM A85 C44 H56 F2 N8 O6 CC(C)[C@@H....
486 1D4L Ki = 1.7 nM PI9 C32 H48 N4 O6 S CC(C)CC[N@....
487 4OBH - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
488 3KFR - 3TL C50 H64 N6 O10 C[C@@H](C(....
489 2I0A Ki = 0.004 nM MUI C33 H39 N3 O8 S CC(C)C[N@@....
490 1EC1 Ki = 1.2 nM BEE C40 H50 N4 O8 S2 CC(C)[C@@H....
491 6DH6 Ki = 117.2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
492 1ZSF Ki = 0.12 nM 0ZS C38 H49 N5 O8 CC(C)(C)OC....
493 2FGU Kd = 0.66 nM QNC ASN HPH DIQ NTB n/a n/a
494 3NU3 Ki = 0.15 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
495 2FNT - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
496 1KJH - ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE n/a n/a
497 3S54 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
498 2PSU Ki = 24 nM MUU C26 H35 N3 O6 S CNC(=O)CCC....
499 4K4P - 3TL C50 H64 N6 O10 C[C@@H](C(....
500 2AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
501 5AH7 - C7J C27 H36 Cl N3 O7 S CC(C)CN(CC....
502 3GGA - GGW C39 H53 N5 O7 CC(C)(C)[C....
503 3BXR Ki = 0.8 uM DRR C37 H51 N5 O7 CC[C@H](C)....
504 1KJF - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
505 1SBG Ki = 18 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
506 2NMZ - ROC C38 H50 N6 O5 CC(C)(C)NC....
507 3DJK Ki = 26 pM G55 C27 H38 N2 O8 S CC(C)C[N@@....
508 4DFG Ki = 1.8 pM 0JV C31 H43 N3 O9 S CC(C)CN(C[....
509 1EC2 Ki = 0.1 nM BEJ C42 H52 N6 O8 CC(C)[C@@H....
510 1YTH - ACE SER LEU ASN PHE n/a n/a
511 3HDK Kd = 17.5 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
70% Homology Family (531)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 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 4K4R - 3TL C50 H64 N6 O10 C[C@@H](C(....
12 3CKT Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
13 2AVS Ki = 27 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
14 2IDW Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
15 2I4V Kd = 9.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
16 1NPV ic50 = 5.7 nM L27 C35 H37 N3 O6 c1ccc(cc1)....
17 1HIV Ki < 1 nM 1ZK C45 H62 N7 O7 CC[C@H](C)....
18 4I8Z Ki = 8.9 pM G08 C28 H37 N3 O8 S CC(C)CN(C[....
19 2F3K Kd = 0.95 nM RO1 C37 H53 N5 O7 S CC(C)(C)NC....
20 4ZIP Ki = 0.21 nM G64 C37 H46 N4 O7 S Cc1cc(cc(c....
21 3R4B - 74T C38 H53 N5 O7 S2 CC(C)C[N@@....
22 1AJV Ki = 19.1 nM NMB C32 H34 N2 O6 S c1ccc(cc1)....
23 4U7V Ki = 3.2 uM 3EN C28 H36 N4 O4 S CC(C)[C@@H....
24 6DJ7 Ki = 1.9 nM G10 C27 H35 F2 N3 O7 S CC(C)CN(C[....
25 1GNM Ki = 560 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
26 3KDB Kd = 0.14 nM 006 C35 H41 N3 O6 S Cc1cccc(c1....
27 6DH8 Ki = 146.2 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
28 1B6K Ki = 1.8 nM PI5 C37 H53 N5 O7 CC[C@H](C)....
29 4DQF - 017 C27 H37 N3 O7 S CC(C)C[N@@....
30 1QBT Ki = 0.024 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
31 5COO - 52Z C30 H42 N2 O10 S CC(C)CN(C[....
32 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
33 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
34 6E9A ic50 = 48.3 nM J0S C28 H37 N3 O8 S CC(C)CN(C[....
35 4FLG - GLN ILE ILE n/a n/a
36 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
37 6CDJ Ki = 2 pM GR8 C34 H42 F2 N4 O7 S2 CC(C)CN(C[....
38 4CPU Ki = 29.5 nM V78 C40 H55 N5 O6 S CC(C)[C@H]....
39 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
40 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
41 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
42 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
43 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
44 3B7V - ASN LEU LNT GLN ILE n/a n/a
45 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
46 1B6J Ki = 12 nM PI1 C34 H53 N7 O8 CC[C@H](C)....
47 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
48 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
49 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
50 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
51 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
52 6DH5 - A60 C29 H41 N3 O7 S CCC(CC)C[N....
53 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
54 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
55 5JFU Ki = 8.5 nM 6KQ C35 H46 N2 O8 S COc1ccc(cc....
56 4GZF ic50 = 142 nM ILO VAL DC0 GLU ALA NLE n/a n/a
57 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
58 5IVQ - 6EH C24 H31 N3 O4 COC(=O)N[C....
59 4CPQ - 9MW C43 H58 N6 O6 CC(C)[C@@H....
60 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
61 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
62 6B3F - CKV C34 H34 F3 N3 O3 S C[C@H]1CN(....
63 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
64 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
65 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
66 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
67 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
68 6DGX Ki < 5 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
69 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
70 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
71 4CPW - V78 C40 H55 N5 O6 S CC(C)[C@H]....
72 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
73 4LL3 Kd = 2.7 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
74 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
75 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
76 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
77 1FG6 - 2NC C35 H68 N11 O8 CCCC[C@@H]....
78 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
79 3HBO Kd = 8.2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
80 4HE9 Ki = 3.5 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
81 1BV7 Ki = 0.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
82 1HPS Ki = 0.6 nM RUN C38 H46 N4 O5 CC(C)[C@@H....
83 2I4U Ki = 2.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
84 5AH9 - C7L C30 H43 N3 O9 S CC(C)CN(C[....
85 5IVR - 6EG C34 H38 N4 O4 COC(=O)N[C....
86 6DH0 Ki = 25.6 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
87 4EJL Kd = 7.2 uM IOP C11 H11 N O2 c1ccc2c(c1....
88 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
89 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
90 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
91 5COK - 52U C29 H40 N2 O8 S CC(C)CN(C[....
92 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
93 5JG1 Ki = 1.9 nM 6KR C33 H50 N2 O8 S CC(C)CN(C[....
94 2NNP - ROC C38 H50 N6 O5 CC(C)(C)NC....
95 3KFN - 4DX C7 H14 O C[C@H]1CCC....
96 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
97 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
98 6DV0 Ki = 0.38 nM GA8 C36 H47 N3 O7 S2 CC(C)CN(C[....
99 1VIK Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
100 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
101 2I4X Kd = 9.7 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
102 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
103 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
104 4OBJ - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
105 1FFI - 2NC C35 H68 N11 O8 CCCC[C@@H]....
106 4CPR Ki = 35 nM 378 C42 H57 N5 O6 S CC(C)[C@@H....
107 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
108 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
109 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
110 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
111 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
112 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 CC[C@H](C)....
113 5KR2 Ki = 3.3 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
114 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
115 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
116 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co [B@H]12[BH....
117 2NXM Kd = 0.54 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
118 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
119 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
120 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
121 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
122 5COP - 53F C29 H41 N3 O9 S CC(C)CN(C[....
123 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
124 4ZLS Ki = 0.82 nM G61 C34 H46 N2 O8 S CC(C)CN(C[....
125 5BS4 Ki = 0.0099 nM 4UX C28 H40 N4 O7 S CC(C)CN(C[....
126 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
127 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co [B@H]12[BH....
128 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
129 6DJ5 - G52 C30 H40 N2 O9 S CC(C)C[N@@....
130 4CP7 Ki = 7.8 nM 9MW C43 H58 N6 O6 CC(C)[C@@H....
131 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
132 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
133 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
134 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
135 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
136 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
137 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
138 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
139 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
140 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
141 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
142 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
143 4QJA - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
144 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
145 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
146 6B36 - CKD C33 H32 F3 N3 O3 S c1ccc(cc1)....
147 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
148 4Q1W Ki = 2 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
149 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
150 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
151 6DGY Ki < 5 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
152 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
153 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
154 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
155 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
156 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
157 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
158 1K2C - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
159 1ODX - 0E8 C30 H45 N3 O6 CC(C)(C)OC....
160 4QJ9 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
161 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
162 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
163 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
164 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
165 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
166 6DJ2 Ki = 4.5 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
167 6BZ2 Ki = 14 pM 7OA C33 H40 F2 N4 O7 S2 CC(C)CN(C[....
168 2Q64 Ki = 0.07 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
169 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
170 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
171 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
172 5JFP Ki = 0.48 nM 6KK C32 H48 N2 O8 S CC(C)CN(C[....
173 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
174 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
175 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
176 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
177 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
178 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
179 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
180 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
181 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
182 1FFF - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
183 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
184 5DGW Ki = 0.009 nM 5B5 C31 H45 N3 O8 S CCN[C@H]1C....
185 1NH0 Ki ~ 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
186 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 CC(C)(C)OC....
187 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
188 4U7Q Ki = 180 pM 3EM C43 H51 N5 O8 S CCN(CC)c1c....
189 1BDQ Ki = 460 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
190 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
191 6DIL Ki = 7.6 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
192 4CPS - 1T8 C41 H54 N6 O6 CC(C)[C@H]....
193 2NMY - ROC C38 H50 N6 O5 CC(C)(C)NC....
194 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
195 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
196 1DAZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
197 5CON - 52W C29 H40 N2 O9 S CC(C)CN(C[....
198 4QJ8 - ARG PRO GLY ASN PHE LEU GLN SER ARG LEU n/a n/a
199 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
200 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
201 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
202 1MTB - QNC ASN HPH DIQ NTB n/a n/a
203 1FG8 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
204 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
205 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
206 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
207 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
208 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
209 6DV4 Ki = 1.6 nM GA5 C37 H49 N3 O8 S CC(C)CN(C[....
210 2IEN Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
211 6DH2 Ki = 12.8 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
212 1SP5 - TYR ASP GLN ILE LEU n/a n/a
213 5IVT ic50 = 0.8 nM 6EE C30 H30 Cl F6 N5 O4 c1cc(ccc1[....
214 6C8X Ki = 0.5 pM BVR C27 H36 B N2 O9 S B(=O)(c1cc....
215 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
216 1VIJ Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
217 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
218 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
219 6E7J ic50 = 436 nM HWY C34 H41 N3 O8 S CC(C)CN(C[....
220 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
221 3CYX Ki = 10 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
222 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
223 1EBK - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
224 5UOV Ki = 0.025 nM 8FP C37 H44 N4 O6 S2 Cc1csc(n1)....
225 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
226 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
227 5UPZ Ki = 0.63 nM 8HD C35 H42 N4 O7 S Cc1coc(n1)....
228 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
229 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
230 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
231 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
232 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
233 1K1U - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
234 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
235 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
236 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
237 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
238 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
239 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
240 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
241 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
242 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
243 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
244 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
245 1DW6 - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
246 1BWA Ki = 2.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
247 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
248 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
249 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
250 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
251 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
252 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
253 3NWX - KVS C36 H66 N10 O10 [H]/N=C(\N....
254 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
255 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
256 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
257 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
258 2J9K - 2NC C35 H68 N11 O8 CCCC[C@@H]....
259 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
260 2NPH - TYR VAL ASP GLY ALA n/a n/a
261 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
262 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
263 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
264 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
265 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
266 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
267 5KQZ - 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
268 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
269 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
270 3BVB Ka = 3300000 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
271 5KR0 Ki = 0.71 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
272 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
273 2NXL Kd = 6.2 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
274 4TVH - 3TL C50 H64 N6 O10 C[C@@H](C(....
275 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
276 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
277 7HVP Ki = 0.24 nM ACE SER LEU ASN JG3 ILE VME n/a n/a
278 2R5P Ki = 3.3 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
279 1LZQ Ki = 4.1 nM 0ZQ C38 H49 N5 O7 CC(C)(C)OC....
280 1A94 Ki = 14 nM 0Q4 C40 H70 N11 O8 CCCC[C@@H]....
281 1HVK Ki = 77 pM A79 C44 H58 N8 O6 CC(C)[C@@H....
282 6DH1 Ki = 26.1 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
283 2R38 Ki = 0.036 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
284 3BXS Ki = 8 uM DRS C19 H26 N2 O5 CC(C)[C@H]....
285 2QD7 Ki = 0.8 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
286 6B3C - CKS C34 H34 F3 N3 O3 S C[C@@H]1CN....
287 3DK1 Ki = 0.18 nM G05 C29 H40 N2 O8 S CC(C)C[N@@....
288 2BB9 ic50 = 0.44 nM AKC C36 H39 N3 O7 CCOCCOC(=O....
289 1HEG Ki = 18 nM PSI C29 H47 N5 O7 C[C@@H](C(....
290 4FL8 - GLN ILE IL0 ILE GLU ILE ALA n/a n/a
291 4Q1Y Ki = 45 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
292 2FGV Kd = 760 nM QNC ASN HPH DIQ NTB n/a n/a
293 1EC0 Ki = 3.2 nM BED C38 H38 F2 N2 O8 c1ccc2c(c1....
294 1K6C Kd = 33 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
295 1MSN Kd = 81 nM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
296 6DGZ Ki < 5 pM A60 C29 H41 N3 O7 S CCC(CC)C[N....
297 2PSV Ki = 58 nM MUV C23 H31 N3 O6 S CNC(=O)CCC....
298 1DMP Ki = 0.28 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
299 2QNP Ki = 0.39 uM QN2 C30 H29 I2 N3 O4 S2 c1ccc(cc1)....
300 3S53 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
301 1HXB Ki = 0.12 nM ROC C38 H50 N6 O5 CC(C)(C)NC....
302 1HSG Ki = 2.45 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
303 1IIQ Ki = 33 nM 0ZR C38 H50 N6 O7 CC(C)(C)OC....
304 2AZ8 ic50 = 6 nM 3TL C50 H64 N6 O10 C[C@@H](C(....
305 4QJ7 - ARG PRO GLY ASN PHE LEU GLN SER SER PRO n/a n/a
306 5TYR ic50 = 0.26 nM 7O7 C33 H42 N4 O7 S2 CC(C)CN(C[....
307 2QI1 Ki = 50 nM MZ4 C29 H30 N2 O7 S2 COc1cccc(c....
308 1RL8 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
309 2AVO Ki = 1.4 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
310 6B4N ic50 = 6.2 nM G53 C32 H39 N3 O10 S CC(C)CN(C[....
311 3NU6 Ki = 0.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
312 3DCR ic50 = 6.3 nM KVS C36 H66 N10 O10 [H]/N=C(\N....
313 1YTG - PRO ILE VAL NH2 n/a n/a
314 4FE6 Ki < 0.3 nM 0TQ C32 H42 N4 O8 S CC(C)CN(C[....
315 5BRY Ki = 0.0015 nM 4UY C29 H41 N3 O8 S CC(C)CN(C[....
316 4DJQ Ki = 0.048 nM M86 C28 H40 N4 O7 S CC[C@H](C)....
317 1HXW Ki = 15 pM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
318 4HDB Ki = 8.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
319 1T7I - 017 C27 H37 N3 O7 S CC(C)C[N@@....
320 1KJG - GLY ALA GLU THR PHE TYR VAL ASP GLY ALA n/a n/a
321 4OBG - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
322 1AAQ Ki = 3 nM PSI C29 H47 N5 O7 C[C@@H](C(....
323 3NU9 Ki = 0.9 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
324 2QNQ Kd = 0.77 uM QN3 C30 H29 Cl2 N3 O4 S2 c1ccc(cc1)....
325 5DGU Ki = 0.0045 nM 5B7 C30 H42 N2 O9 S CC(C)CN(C[....
326 4A6C Ki = 4.2 nM QG9 C43 H51 N5 O6 CC(C)(C)[C....
327 5KQY Ki = 0.51 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
328 1MRX Kd = 55 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
329 2UY0 Ki = 120 nM HV1 C36 H43 Br N4 O7 CC(C)(C)[C....
330 2QD8 Ki = 0.85 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
331 1HVJ Ki = 4 pM A78 C44 H60 N8 O5 CC(C)[C@@H....
332 3EKY Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
333 1T7J Ka = 17000000000 M^-1 478 C25 H35 N3 O6 S CC(C)C[N@]....
334 6B3G - CKY C34 H34 F3 N3 O3 S C[C@H]1CNC....
335 1MES Ki = 20 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
336 6DIF Ki = 0.019 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
337 3KDC Kd = 0.52 nM JZP C33 H35 Cl2 N3 O6 S CC1([C@H](....
338 3NUJ Ki = 0.41 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
339 2FLE Ki = 14 nM AI C44 H64 N8 O6 CC(C)[C@@H....
340 3HAW Kd = 1.01 uM 2NC C35 H68 N11 O8 CCCC[C@@H]....
341 3EKV Kd = 0.39 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
342 2QI4 Ki = 0.036 nM MZ6 C29 H33 N3 O5 S2 CC[C@H](C)....
343 4QJ6 - ARG PRO GLY ASN PHE PHE GLN SER ARG PRO n/a n/a
344 5YOK - 8Z0 C41 H48 N4 O8 S Cc1cccc(c1....
345 6B38 - CKM C34 H34 F3 N3 O3 S C[C@@H]1CN....
346 3GI4 Ki = 0.016 nM K60 C32 H34 F3 N3 O8 S CC(C)C[N@@....
347 4OBF - ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO n/a n/a
348 1GNN Ki = 2100 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
349 2WKZ Ki = 1.7 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
350 5YOJ - 8Z0 C41 H48 N4 O8 S Cc1cccc(c1....
351 1ZSR Ki = 0.15 nM 0ZT C38 H49 N5 O8 CC(C)(C)OC....
352 6DH7 Ki = 131.3 pM K13 C28 H39 N3 O7 S CC[C@H](C)....
353 3BC4 Ki