Receptor
PDB id Resolution Class Description Source Keywords
1ody 2 Å EC: 3.4.23.16 HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 HIV-1 M:B_HXB2R ASPARTIC PROTEASE RETROPEPSIN RETROVIRUS HIV AIDS
Ref.: TOWARD A UNIVERSAL INHIBITOR OF RETROVIRAL PROTEASES: COMPARATIVE ANALYSIS OF THE INTERACTIONS OF LP-130 COMPLEXED WITH PROTEASES FROM HIV-1, FIV, AND EIAV. PROTEIN SCI. V. 7 2314 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
LP1 A:201;
Valid;
none;
Ki = 8 nM 794.978 C45 H58 N6 O7 CC[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I0D 1.95 Å EC: 3.4.23.16 CRYSTAL STRUCTURE OF AD-81 COMPLEXED WITH WILD TYPE HIV-1 PR HUMAN IMMUNODEFICIENCY VIRUS 1 DRUG DESIGN HIV-1 PROTEASE PROTEASE INHIBITORS HYDROLASE
Ref.: DISCOVERY OF HIV-1 PROTEASE INHIBITORS WITH PICOMOL AFFINITIES INCORPORATING N-ARYL-OXAZOLIDINONE-5-CAR AS NOVEL P2 LIGANDS. J.MED.CHEM. V. 49 7342 2006
Members (414)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4HEG Ki = 1.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
2 1MER Ki = 10 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
3 4HLA - 017 C27 H37 N3 O7 S CC(C)C[N@@....
4 3TKW - 017 C27 H37 N3 O7 S CC(C)C[N@@....
5 1W5W Ki = 1.6 nM BE4 C38 H36 F4 N2 O8 c1ccc2c(c1....
6 1HVR Ki = 0.31 nM XK2 C41 H38 N2 O3 c1ccc(cc1)....
7 2NXL Kd = 6.2 uM GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA n/a n/a
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 O(C(=O)NC(....
12 3CKT Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
13 1K6T Kd = 24 nM XN1 C37 H49 N5 O4 C[C@H](c1c....
14 2R43 Ki = 1 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
15 2AVS Ki = 27 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
16 2IDW Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
17 2I4V Kd = 9.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
18 7HVP Ki = 0.24 nM ACE SER LEU ASN JG3 ILE VME n/a n/a
19 1NPV ic50 = 5.7 nM L27 C35 H37 N3 O6 c1ccc(cc1)....
20 1HIV Ki < 1 nM 1ZK C45 H62 N7 O7 O=C(NC(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 3R4B - 74T C38 H53 N5 O7 S2 CC(C)C[N@@....
24 1AJV Ki = 19.1 nM NMB C32 H34 N2 O6 S c1ccc(cc1)....
25 1LZQ Ki = 4.1 nM 0ZQ C38 H49 N5 O7 O(C(=O)NC(....
26 1GNM Ki = 560 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
27 3KDB Kd = 0.14 nM 006 C35 H41 N3 O6 S Cc1cccc(c1....
28 1A94 Ki = 14 nM 0Q4 C40 H70 N11 O8 O=C([O-])C....
29 1HVK Ki = 77 pM A79 C44 H58 N8 O6 CC(C)[C@@H....
30 1B6K Ki = 1.8 nM PI5 C37 H53 N5 O7 CC[C@H](C)....
31 4DQF - 017 C27 H37 N3 O7 S CC(C)C[N@@....
32 1QBT Ki = 0.024 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
33 2R38 Ki = 0.036 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
34 3BXS Ki = 8 uM DRS C19 H26 N2 O5 CC(C)[C@H]....
35 2QD7 Ki = 0.8 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
36 3DK1 Ki = 0.18 nM G05 C29 H40 N2 O8 S CC(C)C[N@@....
37 4HDF Ki = 3.2 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
38 2BB9 ic50 = 0.44 nM AKC C36 H39 N3 O7 CCOCCOC(=O....
39 4FM6 - TYR ASP GLN ILE ILE ILE n/a n/a
40 1HEG Ki = 18 nM PSI C29 H47 N5 O7 O1C(=O)C(N....
41 4FLG - GLN ILE ILE n/a n/a
42 4FL8 - GLN ILE IL0 ILE GLU ILE ALA n/a n/a
43 2FGV Kd = 760 nM QNC ASN HPH DIQ NTB n/a n/a
44 1EC0 Ki = 3.2 nM BED C38 H38 F2 N2 O8 c1ccc2c(c1....
45 1W5X Ki = 4 nM BE5 C38 H36 F4 N2 O8 c1ccc2c(c1....
46 1K6C Kd = 33 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
47 1MSN Kd = 81 nM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
48 2PSV Ki = 58 nM MUV C23 H31 N3 O6 S CNC(=O)CCC....
49 1DMP Ki = 0.28 nM DMQ C33 H36 N4 O3 c1ccc(cc1)....
50 2QNP Ki = 0.39 uM QN2 C30 H29 I2 N3 O4 S2 c1ccc(cc1)....
51 3S53 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
52 1HXB Ki = 0.12 nM ROC C38 H50 N6 O5 O=C(NC(C(=....
53 1HSG Ki = 2.45 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
54 1IIQ Ki = 33 nM 0ZR C38 H50 N6 O7 O(C(=O)NC(....
55 2AZ8 ic50 = 6 nM 3TL C50 H64 N6 O10 O(C(=O)NC(....
56 3ZPU Ki = 4.2 nM M8B C37 H52 Br N5 O6 CC(C)(C)[C....
57 2QI1 Ki = 50 nM MZ4 C29 H30 N2 O7 S2 COc1cccc(c....
58 1K6P Kd = 44 nM XN3 C38 H48 N4 O6 CC(C)(C)NC....
59 1RL8 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
60 1Z1R Ki = 0.6 nM HBH C29 H40 N4 O7 S CC(C)CC[N@....
61 3OK9 Ki = 5.9 pM G52 C30 H40 N2 O9 S CC(C)C[N@@....
62 2AVO Ki = 1.4 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
63 2IEO Ki = 3.2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
64 3NU6 Ki = 0.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
65 3B7V - ASN LEU LNT GLN ILE n/a n/a
66 1SDU Ki = 86 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
67 1B6J Ki = 12 nM PI1 C34 H53 N7 O8 CC[C@H](C)....
68 4DQC - 017 C27 H37 N3 O7 S CC(C)C[N@@....
69 3MXE Ki = 0.097 nM K54 C32 H33 F3 N4 O6 S2 CC(C)C[N@@....
70 2HB3 Ki = 0.0045 nM GRL C29 H40 N2 O7 S CC(C)CN(C[....
71 3DCR ic50 = 6.3 nM KVS C36 H66 N10 O10 [H]/N=C(\N....
72 7UPJ Ki = 3.2 nM INU C27 H29 N O5 S c1ccc(cc1)....
73 1EBZ Ki = 0.4 nM BEC C35 H43 N3 O8 CC(C)[C@@H....
74 1YTG - PRO ILE VAL NH2 n/a n/a
75 3NWQ - 2NC C35 H68 N11 O8 O=C(NC(C(=....
76 4FE6 Ki < 0.3 nM 0TQ C32 H42 N4 O8 S CC(C)CN(C[....
77 1HBV Ki = 430 nM GAN C32 H51 N5 O5 CC(C)[C@@H....
78 1D4I Ki = 1.4 nM BEG C38 H40 N2 O7 c1ccc(cc1)....
79 4DJQ Ki = 0.048 nM M86 C28 H40 N4 O7 S CC[C@H](C)....
80 4GZF ic50 = 142 nM ILO VAL DC0 GLU ALA NLE n/a n/a
81 1HXW Ki = 15 pM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
82 4HDB Ki = 8.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
83 1T7I - 017 C27 H37 N3 O7 S CC(C)C[N@@....
84 2F8G Ki = 2 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
85 1KJG - GLY ALA GLU THR PHE TYR VAL ASP GLY ALA n/a n/a
86 1AAQ Ki = 3 nM PSI C29 H47 N5 O7 O1C(=O)C(N....
87 3NU9 Ki = 0.9 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
88 2QNQ Kd = 0.77 uM QN3 C30 H29 Cl2 N3 O4 S2 c1ccc(cc1)....
89 4A6C Ki = 4.2 nM QG9 C43 H51 N5 O6 CC(C)(C)[C....
90 1MT9 - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
91 1B6L Ki = 5 nM PI4 C28 H43 N5 O6 CC(C)(C)NC....
92 1MRX Kd = 55 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
93 2UY0 Ki = 120 nM HV1 C36 H43 Br N4 O7 CC(C)(C)[C....
94 2QD8 Ki = 0.85 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
95 2PWC Ki = 0.27 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
96 1HVJ Ki = 4 pM A78 C44 H60 N8 O5 CC(C)[C@@H....
97 2HS1 Ki = 3.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
98 3EKY Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
99 1T7J Ka = 1.7e+10 M^-1 478 C25 H35 N3 O6 S CC(C)C[N@]....
100 1W5V Ki = 7.1 nM BE3 C38 H38 F2 N2 O8 c1ccc2c(c1....
101 2R5Q Ki = 2.7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
102 3M9F ic50 = 0.007 nM 595 C35 H46 N4 O6 S C[C@@H](CC....
103 3MXD Ki = 1.47 nM K53 C31 H35 N3 O9 S CC(C)C[N@@....
104 1MES Ki = 20 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
105 3KDC Kd = 0.52 nM JZP C33 H35 Cl2 N3 O6 S CC1([C@H](....
106 3NUJ Ki = 0.41 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
107 2Q5K Ki = 0.005 nM AB1 C37 H48 N4 O5 Cc1cccc(c1....
108 2FLE Ki = 14 nM AI C44 H64 N8 O6 CC(C)[C@@H....
109 3HAW Kd = 1.01 uM 2NC C35 H68 N11 O8 O=C(NC(C(=....
110 3EKV Kd = 0.39 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
111 2QI4 Ki = 0.036 nM MZ6 C29 H33 N3 O5 S2 CC[C@H](C)....
112 2AVV Ki = 0.55 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
113 2AOH Ki = 36.3 uM VAL SER PHE ASN FRD PRO GLN ILE THR ALA n/a n/a
114 3ZPS - EQM C36 H52 Br N5 O6 CC(C)(C)[C....
115 3GI4 Ki = 0.016 nM K60 C32 H34 F3 N3 O8 S CC(C)C[N@@....
116 1GNN Ki = 2100 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
117 3D1Z Ki = 1.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
118 1FG6 - 2NC C35 H68 N11 O8 O=C(NC(C(=....
119 1T3R Ki = 14 pM 017 C27 H37 N3 O7 S CC(C)C[N@@....
120 3HBO Kd = 8.2 uM 2NC C35 H68 N11 O8 O=C(NC(C(=....
121 4HE9 Ki = 3.5 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
122 2WKZ Ki = 1.7 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
123 1BV7 Ki = 0.5 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
124 1HPS Ki = 0.6 nM RUN C38 H46 N4 O5 CC(C)[C@@H....
125 1ZSR Ki = 0.15 nM 0ZT C38 H49 N5 O8 O(C(=O)NC(....
126 2I4U Ki = 2.7 pM DJR C28 H38 N2 O8 S CC(C)C[N@@....
127 2O4N Kd = 15010 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
128 4EJL Kd = 7.2 uM IOP C11 H11 N O2 c1ccc2c(c1....
129 3BC4 Ki = 4.5 uM LLG C14 H15 N O2 O(C(=O)Cc1....
130 3LZS Kd = 0.0109 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
131 2AOC Ki = 13 uM UNX 2NC n/a n/a
132 2ZGA Ki = 0.48 uM YDP C28 H37 N5 O6 S2 CC(=CCN([C....
133 3BGB Ki = 0.9 uM LJG C24 H39 N5 O4 S2 CC(C)CN(CC....
134 2NXD Kd = 2.2 uM GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA n/a n/a
135 2PK6 Kd = 13 pM O33 C40 H45 N5 O7 S2 CC1([C@H](....
136 3S56 Ki = 0.24 nM ROC C38 H50 N6 O5 O=C(NC(C(=....
137 4DJR Ki = 0.003 nM 0KJ C28 H36 N4 O6 S2 CC[C@H](C)....
138 4A6B Ki = 12 nM QG8 C44 H52 N4 O6 CC(C)(C)[C....
139 1A8G Ki = 7.4 nM 2Z4 C46 H59 N5 O9 O(C(=O)NC(....
140 1HIH Ki = 9 nM C20 C31 H51 N5 O5 CC(C)[C@@H....
141 1KZK Ki = 41 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
142 3FX5 Ki < 1 nM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
143 2FXD ic50 = 12 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
144 2NNP - ROC C38 H50 N6 O5 O=C(NC(C(=....
145 3KFN - 4DX C7 H14 O C[C@H]1CCC....
146 3R0W ic50 = 30.3 uM RSY C31 H43 Cl N6 O6 CC(C)C[C@@....
147 2P3A Ki = 11 nM 3TL C50 H64 N6 O10 O(C(=O)NC(....
148 4KB9 Ki = 0.01 nM G79 C32 H44 N2 O8 S CC(C)CN(C[....
149 3OU3 - LEU ASN PHE PRO ILE SER PRO n/a n/a
150 2Q55 Ki = 2.04 nM MU0 C37 H45 N5 O6 CC(C)[C@@H....
151 1HTG ic50 = 3.8 nM G37 C42 H47 N7 O5 S CC1([C@@H]....
152 2PYN Ki = 7 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
153 1VIK Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
154 2NNK - ROC C38 H50 N6 O5 O=C(NC(C(=....
155 1XL5 Ki = 45 nM 190 C31 H37 Br F N O5 S Cc1cccc(c1....
156 1HPV Ki = 0.6 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
157 2I4X Kd = 9.7 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
158 4HVP Ki = 0.78 uM 2NC C35 H68 N11 O8 O=C(NC(C(=....
159 1D4J Ki = 4.4 nM MSC C36 H36 Cl F N2 O7 c1ccc(cc1)....
160 2JE4 - ACE SER LEU ASN JG3 ILE VME n/a n/a
161 4DQB - 017 C27 H37 N3 O7 S CC(C)C[N@@....
162 1FFI - 2NC C35 H68 N11 O8 O=C(NC(C(=....
163 1A8K - 0Q4 C40 H70 N11 O8 O=C([O-])C....
164 1C70 Ki = 0.05 nM L75 C39 H48 N4 O5 CC(C)(C)NC....
165 1B6P Ki = 3 nM PI7 C36 H53 N5 O7 CC[C@H](C)....
166 3NYG - 2NC C35 H68 N11 O8 O=C(NC(C(=....
167 3D20 Ki = 5 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
168 2QI0 Ki = 42 nM MZ3 C30 H31 F N2 O5 S2 Cc1c(cccc1....
169 1FEJ - 2NC C35 H68 N11 O8 O=C(NC(C(=....
170 1C6Z - ROC C38 H50 N6 O5 O=C(NC(C(=....
171 2Q3K - MUW C34 H46 N4 O6 S CC(C)C[N@@....
172 2F81 Ki = 0.03 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
173 2R3T Ki = 1.4 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
174 1KJ7 - PRO ALA THR ILE MET MET GLN ARG GLY ASN n/a n/a
175 3KF0 - 4DX C7 H14 O C[C@H]1CCC....
176 1MTR Ki = 4 nM PI6 C33 H48 N4 O6 O(C(=O)NC(....
177 3EL9 Kd = 4 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
178 1K2B - 0Q4 C40 H70 N11 O8 O=C([O-])C....
179 3NU5 Ki = 4.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
180 3JVY - 017 C27 H37 N3 O7 S CC(C)C[N@@....
181 1ZTZ Ki = 66 nM CB5 C4 H22 B18 Co
182 2NXM Kd = 0.54 uM GLY ALA GLN THR PHE TYR VAL ASP GLY ALA n/a n/a
183 1ZP8 Ki = 1.7 nM AB2 C34 H41 N5 O7 S CC(C)CN(C[....
184 4E43 - ASN LEU LEU GLN LYS LYS n/a n/a
185 1D4S Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
186 3JW2 - 017 C27 H37 N3 O7 S CC(C)C[N@@....
187 3PWM - 017 C27 H37 N3 O7 S CC(C)C[N@@....
188 2O4K Kd = 35 pM DR7 C38 H52 N6 O7 CC(C)(C)[C....
189 1HPO Ki = 0.6 nM UNI C28 H28 N2 O5 S c1cc(cc(c1....
190 3LZV Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
191 3H5B ic50 = 26 nM 031 C30 H39 N3 O8 S COc1ccc(cc....
192 2AOD Ki = 2.17 uM UNX 2NC n/a n/a
193 1AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
194 1EC3 Ki = 0.92 nM MS3 C42 H52 N6 O8 CC(C)[C@@H....
195 3EKP Kd = 1.3 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
196 2UXZ Ki = 3.3 nM HI1 C36 H45 Br N4 O6 CC(C)(C)[C....
197 4EJ8 Kd = 4.1 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
198 3I7E ic50 = 1.2 nM DJR C28 H38 N2 O8 S CC(C)C[N@@....
199 2O4S Kd = 31 pM AB1 C37 H48 N4 O5 Cc1cccc(c1....
200 3EKW Kd = 10.9 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
201 3I8W Ki = 4.9 nM CB5 C4 H22 B18 Co
202 3OTY - GLU THR PHE TYR VAL ASP GLY n/a n/a
203 4EJD Kd = 14.5 uM 1F1 C9 H7 N O2 c1cc(cc2c1....
204 2Q54 Ki = 0.98 nM MU1 C37 H44 N4 O7 CC(C)[C@@H....
205 1MT8 - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
206 2HS2 Ki = 4.9 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
207 4EJK Kd = 5.3 uM IOP C11 H11 N O2 c1ccc2c(c1....
208 3EL1 Kd = 0.23 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
209 3KDD Kd = 3.45 nM JZQ C33 H35 F2 N3 O6 S CC1([C@H](....
210 3DCK - KVI C36 H66 N10 O9 [H]/N=C(/N....
211 2Z4O Ki = 0.27 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
212 2F80 Ki = 6.6 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
213 1TCX Ki = 112 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
214 4DJO Ki = 0.003 nM MK5 C27 H37 Cl2 N3 O7 S CC[C@H](C)....
215 1PRO Ki = 5 pM A88 C34 H37 N3 O6 COc1cc(ccc....
216 1QBR Ki = 0.027 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
217 1T7K Ki = 1.37 nM BH0 C32 H30 N4 O6 S c1ccc(cc1)....
218 1HVI Ki = 84 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
219 2BPZ Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
220 8HVP Ki < 1 nM VAL SER GLN ASN LOV ILE VAL n/a n/a
221 3TL9 - ROC C38 H50 N6 O5 O=C(NC(C(=....
222 1MET Ki = 0.4 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
223 3TLH Ki = 1.5 nM 3TL C50 H64 N6 O10 O(C(=O)NC(....
224 2QNN Ki = 0.07 uM QN1 C34 H31 F6 N5 O6 S2 c1cc(ccc1C....
225 3KFS - 3TL C50 H64 N6 O10 O(C(=O)NC(....
226 2QHZ Ki = 53 nM MZ2 C26 H24 F6 N2 O4 S2 C/C(=CC(=O....
227 4DQH - 017 C27 H37 N3 O7 S CC(C)C[N@@....
228 1N49 - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
229 1M0B Ki = 1.53 nM 0ZQ C38 H49 N5 O7 O(C(=O)NC(....
230 2Q63 Ki = 9.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
231 1AXA - U0E C28 H52 N8 O6 CC(C)[C@H]....
232 1D4Y Ki = 0.008 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
233 1SGU Ki = 4235 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
234 3ZPT Ki = 3.1 nM M8Y C36 H50 Br N5 O6 CC(C)[C@H]....
235 2AZ9 ic50 = 22 nM 3TL C50 H64 N6 O10 O(C(=O)NC(....
236 1W5Y Ki = 3.3 nM BE6 C38 H36 F4 N2 O8 c1ccc2c(c1....
237 1A30 Ki = 50 uM GLU ASP LEU n/a n/a
238 1IZI Ki = 0.26 nM Q50 C38 H47 N5 O7 CC(C)(C)OC....
239 1MRW Kd = 0.2 nM K57 C28 H37 N3 O5 S Cc1c(cccc1....
240 1Z1H Ki = 4 nM HBB C30 H43 N3 O6 S CC(C)CC[N@....
241 2QI3 Ki = 0.063 nM MZ5 C27 H37 N3 O5 S2 CC[C@H](C)....
242 4EYR ic50 = 237 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
243 1K2C - 0Q4 C40 H70 N11 O8 O=C([O-])C....
244 1ODX - 0E8 C30 H45 N3 O6 O(C(=O)NC(....
245 3D1Y Ki = 6 nM ROC C38 H50 N6 O5 O=C(NC(C(=....
246 1NPA ic50 = 2 nM 3NH C36 H43 N3 O7 c1ccc(cc1)....
247 3EL5 Kd = 18.9 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
248 2AOE Ki = 0.024 uM 0Q4 C40 H70 N11 O8 O=C([O-])C....
249 1K6V Kd = 120 nM XN2 C39 H50 N4 O6 C[C@H](c1c....
250 3SPK ic50 = 3.02 nM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
251 2PYM Ki = 18 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
252 2Q64 Ki = 0.07 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
253 1EBW Ki = 0.9 nM BEI C34 H50 N4 O8 CC[C@H](C)....
254 3NU4 Ki = 1.5 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
255 1WBM - BLL C40 H44 N2 O6 c1ccc(cc1)....
256 2A4F - AAU C36 H39 N3 O8 COc1cc(ccc....
257 3D1X Ki = 2.2 nM ROC C38 H50 N6 O5 O=C(NC(C(=....
258 1QBU Ki = 0.058 nM 846 C34 H36 N4 O4 S c1ccc(cc1)....
259 3B80 - ASN LEU LNT GLN ILE n/a n/a
260 4DQE - 017 C27 H37 N3 O7 S CC(C)C[N@@....
261 1HTF ic50 = 148 nM G26 C32 H38 N4 O4 S CC1([C@@H]....
262 2I0D Ki = 0.0008 nM MUT C33 H39 N3 O8 S CC(C)C[N@@....
263 2I4W Ki = 2.6 pM KGQ C33 H49 N2 O12 P S CCOP(=O)(C....
264 1NPW ic50 = 2 nM LGZ C36 H39 N3 O7 c1ccc(cc1)....
265 1AJX Ki = 12.2 nM AH1 C33 H34 N2 O5 c1ccc(cc1)....
266 3OUA - GLY ASN PHE LEU GLN SER ARG n/a n/a
267 1GNO Ki = 20 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
268 3AID Ki = 137 nM ARQ C30 H38 N3 O4 CC(C)(C)OC....
269 1D4K Ki = 0.6 nM PI8 C41 H54 N4 O6 CC[C@H](C)....
270 2R3W Ki = 0.128 uM G3G C30 H33 N5 O4 S2 c1ccc(cc1)....
271 3TKG - ROC C38 H50 N6 O5 O=C(NC(C(=....
272 1FFF - 0Q4 C40 H70 N11 O8 O=C([O-])C....
273 4PHV ic50 = 0.67 nM VAC C39 H42 N2 O5 c1ccc(cc1)....
274 3GI5 Ki = 0.006 nM K62 C33 H37 N3 O9 S CC(C)C[N@@....
275 1BWB Ki = 3.8 nM 146 C49 H44 N8 O5 c1ccc(cc1)....
276 1NH0 Ki ~ 0.18 nM KI2 PHE GLU GLU NH2 n/a n/a
277 4K4Q - 06B C9 H9 Br O4 COc1ccc(c(....
278 1WBK - 568 C34 H40 N2 O9 c1ccc(cc1)....
279 3EKT Kd = 0.026 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
280 1C6Y Ki = 0.31 nM MK1 C36 H47 N5 O4 CC(C)(C)NC....
281 2O4L Kd = 608 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
282 3OXC Ki = 0.8 nM ROC C38 H50 N6 O5 O=C(NC(C(=....
283 3BVA Ka = 31.7 M^-1 2NC C35 H68 N11 O8 O=C(NC(C(=....
284 1ODW Ki = 100 nM 0E8 C30 H45 N3 O6 O(C(=O)NC(....
285 2BBB ic50 = 2.4 nM HH1 C37 H41 N3 O6 c1ccc(cc1)....
286 1MSM Kd = 33 pM JE2 C32 H37 N3 O5 S Cc1ccccc1C....
287 2AZB ic50 = 64 nM 3TL C50 H64 N6 O10 O(C(=O)NC(....
288 1BDQ Ki = 460 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
289 4I8W Ki = 12.7 pM G07 C28 H36 N2 O9 S CC(C)CN(C[....
290 3OTS - GLN ASN TYR PRO ILE VAL GLN n/a n/a
291 2CEM Ki = 12 nM 2AH C39 H45 N5 O6 CC(C)(C)[C....
292 2NMY - ROC C38 H50 N6 O5 O=C(NC(C(=....
293 2QCI Ki = 4.6 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
294 2AVQ Ki = 41 uM 2NC C35 H68 N11 O8 O=C(NC(C(=....
295 4GYE - ILO VAL PUK GLU ALA NLE n/a n/a
296 1DAZ - 0Q4 C40 H70 N11 O8 O=C([O-])C....
297 2AZC ic50 = 183 nM 3TL C50 H64 N6 O10 O(C(=O)NC(....
298 1B6M Ki = 4 nM PI6 C33 H48 N4 O6 O(C(=O)NC(....
299 2WL0 Ki = 16 nM 5AH C40 H47 N5 O6 CC(C)(C)[C....
300 1HEF Ki = 1 nM ALA ALA PJJ VAL VME n/a n/a
301 1U8G - KI2 PHE GLU GLU NH2 n/a n/a
302 1IZH Ki = 0.02 uM Q50 C38 H47 N5 O7 CC(C)(C)OC....
303 1F7A - LYS ALA ARG VAL LEU ALA GLU ALA MET SER n/a n/a
304 1SH9 Ki = 932 nM RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
305 1MTB - QNC ASN HPH DIQ NTB n/a n/a
306 3LZU Kd = 0.087 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
307 1FG8 - 0Q4 C40 H70 N11 O8 O=C([O-])C....
308 1TSU - ARG GLN ALA ASN PHE LEU GLY LYS n/a n/a
309 3TH9 Ki = 20 nM 9Y9 C25 H33 F N2 O5 S C[C@H]1Cc2....
310 3NUO Ki = 0.16 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
311 1C6X - 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
312 3KFP - 3TL C50 H64 N6 O10 O(C(=O)NC(....
313 1A9M Ki = 119 nM U0E C28 H52 N8 O6 CC(C)[C@H]....
314 3EL4 Kd = 67.4 nM ROC C38 H50 N6 O5 O=C(NC(C(=....
315 1D4H Ki = 0.1 nM BEH C36 H38 N2 O7 c1ccc(cc1)....
316 2O4P Kd = 19 pM TPV C31 H33 F3 N2 O5 S CCC[C@]1(C....
317 2IEN Ki = 1.3 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
318 3A2O Ki = 0.83 nM KNJ C30 H40 N4 O5 S Cc1cc(cc(c....
319 1SP5 - TYR ASP GLN ILE LEU n/a n/a
320 1BV9 Ki = 1.1 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
321 2FDD ic50 = 4.8 nM 385 C33 H41 N3 O10 S2 Cc1nc(cs1)....
322 1VIJ Ki = 0.3 nM BAY C64 H82 N4 O10 S2 CC(C)[C@@H....
323 1HVL Ki = 1000 pM A76 C44 H58 N8 O6 CC(C)[C@@H....
324 2BPY Ki = 39.8 nM 3IN C37 H55 Cl N8 O5 C[C@H]1CC[....
325 4HDP Ki = 30.9 nM G52 C30 H40 N2 O9 S CC(C)C[N@@....
326 3OUC - THR ILE MET MET GLN ARG GLY n/a n/a
327 2AVM Ki = 2 uM 2NC C35 H68 N11 O8 O=C(NC(C(=....
328 1K1T - 0Q4 C40 H70 N11 O8 O=C([O-])C....
329 3CYX Ki = 10 nM ROC C38 H50 N6 O5 O=C(NC(C(=....
330 1XL2 Ki = 1.5 uM 189 C33 H43 N3 O4 S Cc1cccc(c1....
331 1QBS Ki = 0.34 nM DMP C35 H38 N2 O5 c1ccc(cc1)....
332 1ODY Ki = 8 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
333 2PK5 Kd = 20 pM 075 C40 H45 N5 O9 S2 CC1([C@H](....
334 2CEJ Ki = 2.4 nM 1AH C34 H41 Br N4 O6 CC(C)(C)[C....
335 3PWR - ROC C38 H50 N6 O5 O=C(NC(C(=....
336 1FF0 - 2NC C35 H68 N11 O8 O=C(NC(C(=....
337 1EBK - 0Q4 C40 H70 N11 O8 O=C([O-])C....
338 3I6O ic50 = 7 nM GR6 C32 H42 N2 O9 S COc1ccc2c(....
339 2FNS - ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN n/a n/a
340 1TSQ - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
341 1MEU Ki = 0.8 uM DMP C35 H38 N2 O5 c1ccc(cc1)....
342 2FXE - DR7 C38 H52 N6 O7 CC(C)(C)[C....
343 1HOS Ki = 2.8 nM PHP C42 H51 N4 O8 P CC(C)[C@@H....
344 3EKX Kd = 0.39 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
345 1MT7 - VAL SER GLN ASN TYR PRO ILE VAL GLN ASN n/a n/a
346 1HVS Ki = 50 pM A77 C44 H58 N8 O6 CC(C)[C@@H....
347 2QI6 Ki = 0.027 nM MZ8 C28 H31 N3 O5 S2 CC(C)C[N@@....
348 3R0Y ic50 = 14.53 uM RSZ C34 H39 N5 O5 CC(C)[C@@H....
349 1EBY Ki = 0.2 nM BEB C38 H40 N2 O8 c1ccc(cc1)....
350 3BGC Ki = 9.6 uM LJH C30 H35 N5 O4 S2 c1ccc(cc1)....
351 1CPI - ASN RTY PRO ILE VAL NH2 n/a n/a
352 1FGC - 2NC C35 H68 N11 O8 O=C(NC(C(=....
353 1ZLF Ki = 1000 nM 0ZR C38 H50 N6 O7 O(C(=O)NC(....
354 1K1U - 0Q4 C40 H70 N11 O8 O=C([O-])C....
355 1DIF Ki = 22 pM A85 C44 H56 F2 N8 O6 CC(C)[C@@H....
356 1D4L Ki = 1.7 nM PI9 C32 H48 N4 O6 S CC(C)CC[N@....
357 2I4D Ki = 2.1 pM QFI C29 H41 N2 O12 P S CC(C)C[N@@....
358 3GI6 Ki = 0.006 nM D78 C32 H36 F3 N3 O7 S CC(C)C[N@@....
359 3OUB - GLN VAL ASN PHE LEU GLY LYS n/a n/a
360 3KFR - 3TL C50 H64 N6 O10 O(C(=O)NC(....
361 1OHR Ki = 2 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
362 3CYW Ki = 17 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
363 2I0A Ki = 0.004 nM MUI C33 H39 N3 O8 S CC(C)C[N@@....
364 2A1E - IPF C50 H64 N8 O8 CC(C)[C@@H....
365 3JVW - DMP C35 H38 N2 O5 c1ccc(cc1)....
366 1HWR Ki = 4.7 nM 216 C25 H30 N2 O3 C=CCN1[C@@....
367 2BQV Ki = 9 nM A1A C33 H40 N4 O6 CC(C)[C@@H....
368 2AOG Ki = 0.53 uM 2NC C35 H68 N11 O8 O=C(NC(C(=....
369 1UPJ - U01 C19 H17 Br O3 CC(C)[C@@H....
370 1DW6 - 0Q4 C40 H70 N11 O8 O=C([O-])C....
371 1EC1 Ki = 1.2 nM BEE C40 H50 N4 O8 S2 CC(C)[C@@H....
372 1BWA Ki = 25 nM XV6 C41 H38 N6 O5 S2 c1ccc(cc1)....
373 2AQU Ki = 0.48 nM DR7 C38 H52 N6 O7 CC(C)(C)[C....
374 1ZSF Ki = 0.12 nM 0ZS C38 H49 N5 O8 O(C(=O)NC(....
375 2FGU Kd = 0.66 nM QNC ASN HPH DIQ NTB n/a n/a
376 3NU3 Ki = 0.15 nM 478 C25 H35 N3 O6 S CC(C)C[N@]....
377 3EKQ Kd = 176 nM ROC C38 H50 N6 O5 O=C(NC(C(=....
378 2QHY Ki = 33 nM MZ1 C26 H28 F3 N3 O5 S2 C[C@@H](C(....
379 1ZPA Ki = 4 nM A83 C37 H48 N6 O7 S CC(C)CN(C[....
380 1SDT Ki = 540 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
381 2QD6 Ki = 2.1 nM 065 C28 H36 N2 O9 S CC(C)C[N@@....
382 2FNT - ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN n/a n/a
383 3NWX - KVS C36 H66 N10 O10 [H]/N=C(\N....
384 1G2K Ki = 11 nM NM1 C34 H37 N3 O7 S CNC(=O)c1c....
385 1KJH - ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE n/a n/a
386 3S54 Ki = 0.23 nM 017 C27 H37 N3 O7 S CC(C)C[N@@....
387 2PSU Ki = 24 nM MUU C26 H35 N3 O6 S CNC(=O)CCC....
388 4DJP Ki = 0.028 nM M73 C28 H40 N2 O8 S CC[C@H](C)....
389 4K4P - 3TL C50 H64 N6 O10 O(C(=O)NC(....
390 2PQZ Ki = 2.15 uM G0G C30 H31 N3 O4 S2 c1ccc(cc1)....
391 2AID Ki = 15 uM THK C23 H27 Cl F N O S2 c1cc(ccc1C....
392 2CEN Ki = 5 nM 4AH C39 H45 N5 O6 CC(C)(C)[C....
393 3GGA - GGW C39 H53 N5 O7 CC(C)(C)[C....
394 2J9K - 2NC C35 H68 N11 O8 O=C(NC(C(=....
395 3BXR Ki = 0.8 uM DRR C37 H51 N5 O7 CC[C@H](C)....
396 1KJF - ARG PRO GLY ASN PHE LEU GLN SER ARG PRO n/a n/a
397 2PWR Ki = 0.26 uM G4G C32 H33 N5 O6 S2 c1ccc(cc1)....
398 2NPH - TYR VAL ASP GLY ALA n/a n/a
399 1SBG Ki = 18 nM IM1 C31 H42 N4 O4 CC(C)[C@@H....
400 1HVH Ki = 11 nM Q82 C36 H38 N4 O4 c1ccc(cc1)....
401 1ZJ7 Ki = 86 nM 0ZT C38 H49 N5 O8 O(C(=O)NC(....
402 1SDV Ki = 1810 pM MK1 C36 H47 N5 O4 CC(C)(C)NC....
403 3EL0 Kd = 34.1 nM 1UN C32 H45 N3 O4 S Cc1c(cccc1....
404 3HAU Kd = 0.42 uM 2NC C35 H68 N11 O8 O=C(NC(C(=....
405 2NMZ - ROC C38 H50 N6 O5 O=C(NC(C(=....
406 3ST5 Ki = 5 pM G89 C29 H40 N2 O8 S CC(C)C[N@@....
407 3DJK Ki = 26 pM G55 C27 H38 N2 O8 S CC(C)C[N@@....
408 4DFG Ki = 1.8 pM 0JV C31 H43 N3 O9 S CC(C)CN(C[....
409 1EC2 Ki = 0.1 nM BEJ C42 H52 N6 O8 CC(C)[C@@H....
410 2QI7 Ki = 0.062 nM MZ9 C28 H40 N2 O6 S CC[C@H](C)....
411 1YTH - ACE SER LEU ASN PHE n/a n/a
412 1HPX Ki = 5.5 pM KNI C33 H41 N5 O6 S2 CC(C)(C)NC....
413 3BVB Ka = 3.3e+06 M^-1 017 C27 H37 N3 O7 S CC(C)C[N@@....
414 3HDK Kd = 17.5 uM 2NC C35 H68 N11 O8 O=C(NC(C(=....