Receptor
PDB id Resolution Class Description Source Keywords
5N70 1.81 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE P IXODES RICINUS HYDROLASE
Ref.: NOVEL STRUCTURAL MECHANISM OF ALLOSTERIC REGULATION ASPARTIC PEPTIDASES VIA AN EVOLUTIONARILY CONSERVED CELL CHEM BIOL V. 25 318 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA PHE ARG ILE PRO LEU THR ARG B:5;
Valid;
none;
Kd ~ 3 nM
975.207 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N70 1.81 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE P IXODES RICINUS HYDROLASE
Ref.: NOVEL STRUCTURAL MECHANISM OF ALLOSTERIC REGULATION ASPARTIC PEPTIDASES VIA AN EVOLUTIONARILY CONSERVED CELL CHEM BIOL V. 25 318 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5N7Q - IVA VAL VAL STA ALA STA n/a n/a
2 5N70 Kd ~ 3 nM ALA PHE ARG ILE PRO LEU THR ARG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5N7Q - IVA VAL VAL STA ALA STA n/a n/a
2 5N70 Kd ~ 3 nM ALA PHE ARG ILE PRO LEU THR ARG n/a n/a
50% Homology Family (209)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E81 - M91 C34 H49 N5 O6 S CSC[C@@H](....
2 4ZEA - IMI C10 H17 N3 O2 S C1[C@H]2[C....
3 3ER3 Ki = 81 nM 0EL C51 H78 N8 O9 NULL
4 4Y4D - CFF C8 H10 N4 O2 Cn1cnc2c1C....
5 5LWT - 7B3 C10 H13 N3 O Cc1c2cnnc(....
6 1EPM - THR PHE GLN ALA PSA LEU ARG GLU n/a n/a
7 1EED Ki = 16.2 uM 0EO C34 H55 N3 O8 CC(C)C[C@@....
8 3PMY - 41L C15 H13 N3 O c1ccc(cc1)....
9 1OEX - BOC HIS PRO PHE ALA LOV ILE HIS n/a n/a
10 4ER4 Ki = 160 nM PRO HIS PRO PHE HIS LAV ILE HIS LYS n/a n/a
11 4LBT Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
12 3PWW - ROC C38 H50 N6 O5 CC(C)(C)NC....
13 4Y38 Kd = 4 mM 0A9 C10 H13 N O2 COC(=O)[C@....
14 2JJJ - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
15 1GVV - 0GM C51 H61 N5 O6 CC(C)C[C@H....
16 3PMU - F7L C14 H20 F N O2 c1ccc(c(c1....
17 5OJE Ki = 6.1 uM VSK C22 H27 N3 O Cc1cc(c(c(....
18 1GVT - 2ZS C31 H48 N4 O7 S CC(C)OC(=O....
19 1EPR - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
20 5MB5 - 46P C8 H10 N4 S Cc1c(sc(n1....
21 5MB7 - 4AV C8 H9 Cl N2 O2 CNCc1cc(cc....
22 4Y4G - GGB C5 H12 N4 O3 [H]/N=C(N)....
23 3ER5 Ki = 1 nM PRO HIS PRO PHE HIS STA VAL ILE HIS LYS n/a n/a
24 3URL - HIS SER LEU PHE HIS PUK THR PRO n/a n/a
25 3PCZ - BAM C7 H9 N2 c1ccc(cc1)....
26 2V00 Kd = 0.22 mM V15 C12 H13 N3 O c1ccc(cc1)....
27 5LWR - 7B2 C27 H29 Cl N9 O Cc1c2cnn3c....
28 3PLL - F06 C8 H9 Cl N2 S [H]/N=C(N)....
29 4ER2 Ki = 0.5 nM IVA VAL VAL STA ALA STA n/a n/a
30 4LP9 ic50 = 0.62 uM SER LEU PHE HIS 22G THR PRO n/a n/a
31 3PRS - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
32 1ENT Ki = 110 nM 0EM C32 H52 N6 O7 P NULL
33 1E80 - 0GQ C41 H64 N10 O6 CC[C@H](C)....
34 5LWS - 7B2 C27 H29 Cl N9 O Cc1c2cnn3c....
35 3PBD - F05 C8 H8 N2 c1ccc2c(c1....
36 1OD1 - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
37 3WZ6 Ki = 1.1 uM IXZ C27 H25 N3 O2 S c1ccc(cc1)....
38 5ER1 Ki = 960 nM 0HT C28 H48 N4 O5 CC[C@H](C)....
39 1OEW - SER THR n/a n/a
40 1EPQ Ki = 6.5 nM 0QF C31 H52 N4 O7 S2 CCS[C@@H](....
41 5MB3 - 5GL C13 H20 N2 O S CCCN1C2=C(....
42 2JJI - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
43 3PCW - FBF C8 H7 F3 N2 [H]/N=C(/c....
44 3PGI - F41 C14 H18 N2 O3 c1cc2c(cc1....
45 4Y3J Kd = 6.8 mM HIC C7 H11 N3 O2 Cn1cc(nc1)....
46 1GVW Ki = 110 nM 0EM C32 H52 N6 O7 P NULL
47 5ER2 Ki = 0.27 uM 0EK C50 H77 N9 O9 NULL
48 1EPP Ki = 69 nM 1Z1 C32 H57 N7 O6 S2 CC[C@H](C)....
49 2ER7 ic50 = 0.7 nM BOC HIS PRO PHE HIS LOV ILE HIS n/a n/a
50 4KUP Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
51 3WZ7 Ki = 1.8 uM IXY C28 H30 N4 O2 S c1ccc(cc1)....
52 1EPO Ki = 11 nM 2Z3 C32 H49 F2 N5 O7 NULL
53 1ER8 - DHI PRO PHE HIS LEU LEU VAL TYR n/a n/a
54 3WZ8 Ki = 1.5 uM IXV C27 H25 N3 O2 S c1ccc(cc1)....
55 3PI0 - F91 C14 H14 N2 O2 c1cc2c(cc1....
56 1GVU Ki = 1 nM PRO HIS PRO PHE HIS STA VAL ILE HIS LYS n/a n/a
57 1EPL - PRO LEU GLU PSA ARG LEU n/a n/a
58 4Y3Y Kd = 4.5 mM DCL C6 H15 N O CC(C)C[C@@....
59 1E5O - 3AI C23 H38 N4 O4 S CC[C@H](C)....
60 3PLD - F90 C8 H9 Cl N2 S [H]/N=C(N)....
61 5MB0 Kd = 1.4 mM F91 C14 H14 N2 O2 c1cc2c(cc1....
62 2ER6 Ki = 60 nM PRO THR GLU PUK ARG GLU n/a n/a
63 3URI - HIS PRO HIS LEU SER 13E ALA HIS n/a n/a
64 4LHH Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
65 4Y48 - GLY PRO n/a n/a
66 1E82 - M90 C34 H49 N5 O6 S CSC[C@@H](....
67 1EPN - 2ZS C31 H48 N4 O7 S CC(C)OC(=O....
68 2ER9 Ki = 40 nM BOC HIS PRO PHE HIS STA LEU PHE n/a n/a
69 4Y4J Kd = 3.4 mM LNR C8 H11 N O3 c1cc(c(cc1....
70 1GVX Ki = 60 nM PRO THR GLU PUK ARG GLU n/a n/a
71 3PM4 - F5N C15 H13 N3 O c1ccc(cc1)....
72 3PB5 - F63 C11 H12 N2 O2 CNCc1ccc(o....
73 4ZE6 Kd = 3.3 mM 011 C7 H15 N O2 C(CCCN)CCC....
74 3PBZ - F02 C11 H17 N3 O CCN(CC)c1c....
75 4ER1 Ki = 0.24 uM 0ZP C51 H68 N5 O4 CC[C@H](C)....
76 3OWN Ki = 34 nM 3OX C37 H48 N4 O7 S CC(C)CNC(=....
77 2G21 - L1B C19 H24 N5 O CCc1c(c(nc....
78 4RYC ic50 = 0.08 uM 3ZK C27 H39 N3 O6 S Cc1ccc(cc1....
79 3D91 Kd = 131 pM REM C33 H50 N4 O6 S CC(C)(C)S(....
80 1BIL ic50 = 0.5 nM 0IU C34 H53 N5 O5 S NULL
81 3KM4 ic50 = 1.3 nM 22X C28 H45 Cl N4 O3 CC(=O)NCCC....
82 2G24 - 7IG C19 H19 F2 N5 CCc1c(c(nc....
83 2IL2 Kd = 79 nM LIX C32 H38 N6 O5 S CCc1c(c(nc....
84 5SY3 ic50 = 43 uM 74Z C15 H15 N3 O S c1cc(oc1)C....
85 4Q1N ic50 = 0.2 nM 2Y9 C26 H42 N4 O4 CCOC[C@@H]....
86 2I4Q ic50 = 0.007 uM UA4 C25 H27 F2 N5 O3 CCc1c(c(nc....
87 2BKS ic50 = 37 nM PZ1 C34 H41 N3 O6 COc1ccccc1....
88 4S1G Ki = 0.6 nM 43T C24 H29 F N4 O2 C[C@@H](c1....
89 4XX3 Ki = 56 nM 70X C23 H28 N4 O2 [H]/N=C1/N....
90 2G1S - 4IG C24 H25 F2 N5 O3 CCc1c(c(nc....
91 2G20 - L1A C33 H50 N6 O7 S2 CC(C)C[C@@....
92 5SXN ic50 = 11 uM 74U C19 H15 N3 O c1ccc(cc1)....
93 3G70 ic50 = 0.4 nM A5T C33 H32 Cl3 F2 N3 O2 c1cc(c(c(c....
94 2G1Y - 5IG C20 H27 N5 O3 CCc1c(c(nc....
95 2G1R - 3IG C20 H26 N6 O3 CCc1c(c(nc....
96 4GJC ic50 = 0.09 uM 0MJ C27 H29 N3 O4 S Cc1ccc(cc1....
97 4GJ8 - 0LW C20 H23 N O S c1ccc2c(c1....
98 5SY2 ic50 = 11 uM 74V C18 H25 N5 O2 CCN([C@H]1....
99 5KOS ic50 = 1.5 nM 6VS C27 H46 N6 O4 CC(C)CN([C....
100 3G72 ic50 = 0.8 nM A6T C33 H32 Cl3 F2 N3 O2 c1cc(c(c(c....
101 3G6Z ic50 = 0.2 nM A7T C35 H39 Cl2 N3 O3 Cc1cccc(c1....
102 3GW5 ic50 = 0.47 nM 72X C28 H46 Cl N3 O3 CNC[C@H](C....
103 3SFC ic50 = 0.003 uM S53 C32 H29 F N4 O2 Cc1ccc(cc1....
104 2IKO Kd = 3571 nM 7IG C19 H19 F2 N5 CCc1c(c(nc....
105 3K1W - BFX C31 H31 Br Cl F N2 O2 c1ccc(c(c1....
106 4XX4 Ki = 44 nM 70Y C25 H30 N4 O2 [H]/N=C1/N....
107 2FS4 ic50 = 37 nM PZ1 C34 H41 N3 O6 COc1ccccc1....
108 2BKT ic50 = 23 nM RPF C31 H37 N3 O5 COc1ccccc1....
109 4GJ5 - 0LR C22 H23 N O c1ccc(cc1)....
110 2G22 - 6IG C27 H35 N5 O CCc1c(c(nc....
111 1RNE ic50 = 2 nM C60 C39 H63 N5 O6 S CCCCNC(=O)....
112 2G26 - 3LG C32 H35 N3 O7 COc1ccccc1....
113 4Y6M - 48Q C39 H52 N4 O4 CCCN(CCC)C....
114 5YIE Ki = 5.6 nM 8VF C39 H51 N5 O6 S CCN(CCN)c1....
115 5YID Ki = 4 nM K95 C37 H44 N4 O6 S2 CC1([C@H](....
116 2IGX - A1T C41 H49 N5 O2 CCCCCc1ccc....
117 5YIC Ki = 1.3 nM 8VO C37 H45 N5 O6 S2 CC1([C@H](....
118 4CKU ic50 = 0.15 uM P2F C38 H52 N4 O6 S CCCN(CCC)C....
119 1XDH - IVA VAL VAL STA ALA STA n/a n/a
120 1LF2 - R37 C32 H41 N3 O4 Cc1cccc(c1....
121 5YIB Ki = 3.3 nM 8VC C40 H53 N5 O6 S Cc1cc(cc(c....
122 1LEE - R36 C32 H41 N3 O4 Cc1cccc(c1....
123 5YIA Ki = 3 nM 8V9 C37 H44 N4 O7 S2 CC1([C@H](....
124 1XE5 - 5FE C29 H47 F6 N5 O9 C[C@@H](C(....
125 5RBV - RQD C10 H12 F N O2 COC(=O)[C@....
126 5RCG - REG C11 H20 N2 O2 C1CCC(C1)N....
127 5R1U - T9G C9 H13 N O CC[C@H](c1....
128 5RC3 - RAY C11 H14 F N O3 COCCOCC(=O....
129 5R21 - R9Y C11 H16 N2 CN1CCCc2c1....
130 5RCE - RE4 C11 H13 N5 Cc1cc(nc(n....
131 5RBS - R8V C9 H9 N O2 CN1[C@H](c....
132 5RBU - R97 C10 H10 N2 S Cc1csc(n1)....
133 5R2C - RE4 C11 H13 N5 Cc1cc(nc(n....
134 5R20 - R9V C14 H19 N O c1ccc(cc1)....
135 5RCC - RDV C12 H22 N2 O C1CCC(C1)C....
136 5RC4 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
137 5R25 - RBJ C8 H11 N O CNCc1ccc(c....
138 5HCT Ki = 0.0254 uM 61P C30 H30 N8 O2 c1ccc2c(c1....
139 5R1W - R8Y C10 H13 N O3 S CCN(CCC(=O....
140 5R23 - RAY C11 H14 F N O3 COCCOCC(=O....
141 5RC5 - RBG C10 H20 N2 O CC(C)(C)NC....
142 5RCB - RDM C12 H15 N O3 CC(=O)N[C@....
143 5RC6 - RBJ C8 H11 N O CNCc1ccc(c....
144 5RBQ - R8P C8 H9 N O3 C[C@@H](c1....
145 5R1V - R8S C5 H8 N4 O COc1ccnc(n....
146 5R1Z - R9M C6 H7 N O2 S c1csc(n1)C....
147 5R2B - RDY C12 H15 N O4 C[C@@H](C(....
148 5RC7 - AES C8 H10 F N O2 S c1cc(ccc1C....
149 5RBO - R8A C6 H8 N2 O c1cc(c(nc1....
150 5R26 - RCV C10 H13 N O3 COC(=O)COc....
151 5R1Y - R9J C11 H15 N O2 Cc1ccc(cc1....
152 5RBZ - R9S C9 H11 N O Cc1ccccc1C....
153 5R1X - RQD C10 H12 F N O2 COC(=O)[C@....
154 5RC8 - RCV C10 H13 N O3 COC(=O)COc....
155 5RC9 - RD4 C9 H12 N2 O [H]/N=C(c1....
156 5RBY - R9M C6 H7 N O2 S c1csc(n1)C....
157 5RCF - RE7 C13 H16 F N3 C[C@H](c1c....
158 5R24 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
159 5R28 - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
160 5RBT - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
161 5RCD - RDY C12 H15 N O4 C[C@@H](C(....
162 5RBR - R8S C5 H8 N4 O COc1ccnc(n....
163 5R2D - REG C11 H20 N2 O2 C1CCC(C1)N....
164 5RC0 - R9V C14 H19 N O c1ccc(cc1)....
165 5R29 - RDM C12 H15 N O3 CC(=O)N[C@....
166 5R1T - R8A C6 H8 N2 O c1cc(c(nc1....
167 5R2A - RDV C12 H22 N2 O C1CCC(C1)C....
168 5R27 - RD4 C9 H12 N2 O [H]/N=C(c1....
169 5RBX - R9J C11 H15 N O2 Cc1ccc(cc1....
170 5RC1 - R9Y C11 H16 N2 CN1CCCc2c1....
171 5RCA - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
172 5R22 - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
173 5RC2 - R8Y C10 H13 N O3 S CCN(CCC(=O....
174 5RBW - R9G C12 H15 N O2 COc1cccc(c....
175 5RBP - SYG C9 H13 N O CC[C@@H](c....
176 1PPM Ki = 1600 nM 0P1 C29 H40 N3 O9 P C[C@@H](C(....
177 2WED Ki = 0.8 uM PP6 C29 H32 N2 O7 P CC(C)[C@H]....
178 1APU Ki = 1.6 nM IVA VAL VAL 32L n/a n/a
179 2WEC Ki = 110 uM PP5 C28 H32 N2 O7 P CC(C)[C@@H....
180 1APW Ki = 10 nM IVA VAL VAL DFI NME n/a n/a
181 1PPL Ki = 2.8 nM 1Z7 C30 H50 N3 O8 P CC(C)C[C@H....
182 2WEB Ki = 7.6 uM PP4 C28 H32 N2 O7 P CC(C)[C@@H....
183 2WEA - PP6 C29 H32 N2 O7 P CC(C)[C@H]....
184 1BXO Ki = 0.1 nM PP7 C30 H47 N4 O9 P CC(C)C[C@@....
185 1APT - IVA VAL VAL LTA n/a n/a
186 1PPK Ki = 22 nM IVV C24 H46 N3 O7 P CCOC(=O)C[....
187 1BXQ Ki = 42 nM PP8 C29 H47 N4 O9 P CC(C)C[C@H....
188 1APV Ki = 1 nM IVA VAL VAL DFO NME n/a n/a
189 1SMR - PIV HIS PRO PHE HIS LPL TYR TYR SER n/a n/a
190 1QRP - HH0 C36 H60 N5 O10 P C[C@@H](C(....
191 1PSO - IVA VAL VAL STA ALA STA n/a n/a
192 2QZX ic50 = 6 nM IVA VAL VAL STA ALA STA n/a n/a
193 2JXR Ki = 90 nM 2Z3 C32 H49 F2 N5 O7 NULL
194 1FQ5 Ki = 4 nM 0GM C51 H61 N5 O6 CC(C)C[C@H....
195 1QS8 - IVA VAL VAL STA ALA STA n/a n/a
196 1ZAP Ki = 0.17 nM A70 C42 H70 N6 O5 CCCC[C@@H]....
197 1IZE - IVA VAL VAL STA ALA STA n/a n/a
198 1WKR - IVA VAL VAL STA ALA STA n/a n/a
199 5N7Q - IVA VAL VAL STA ALA STA n/a n/a
200 5N70 Kd ~ 3 nM ALA PHE ARG ILE PRO LEU THR ARG n/a n/a
201 3EMY - IVA VAL VAL STA ALA STA n/a n/a
202 2H6T Ki = 60 nM IVA VAL VAL STA ALA STA n/a n/a
203 3FV3 Ki = 0.3 nM IVA VAL VAL STA ALA STA n/a n/a
204 3QVI - K95 C37 H44 N4 O6 S2 CC1([C@H](....
205 3APR - DHI PRO PHE HIS PUK VAL TYR n/a n/a
206 6APR Ki < 17 nM IVA VAL VAL STA ALA STA n/a n/a
207 5APR Ki < 17 nM HIS PRO PHE CYS STA LEU PHE DHL n/a n/a
208 4APR Ki = 200 nM IVA HIS PRO PHE HIS STA LEU PHE n/a n/a
209 1CZI - PRO PHI SMC NOR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA PHE ARG ILE PRO LEU THR ARG; Similar ligands found: 255
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA PHE ARG ILE PRO LEU THR ARG 1 1
2 VAL MET ALA PRO ARG THR LEU PHE LEU 0.648649 0.902778
3 LEU PRO PHE ASP ARG THR THR ILE MET 0.646667 0.930556
4 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.623288 0.970588
5 LEU PRO PHE GLU ARG ALA THR ILE MET 0.607595 0.916667
6 ARG THR PHE SER PRO THR TYR GLY LEU 0.605263 0.878378
7 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.598639 0.911765
8 ARG PHE PRO LEU THR PHE GLY TRP 0.596273 0.890411
9 DPN PRO DAR DTH NH2 0.592308 0.895522
10 ARG PRO MET THR PHE LYS GLY ALA LEU 0.58642 0.890411
11 LEU PRO PHE GLU ARG ALA THR VAL MET 0.584906 0.902778
12 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.584416 0.928571
13 ARG TYR PRO LEU THR PHE GLY TRP 0.580838 0.866667
14 ALA MET ALA PRO ARG THR LEU LEU LEU 0.577465 0.875
15 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.577181 0.898551
16 GLU ARG THR ILE PRO ILE THR ARG GLU 0.576642 0.940298
17 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.576389 0.890411
18 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.57485 0.88
19 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.569767 0.891892
20 DPN PRO DAR ILE NH2 0.568182 0.850746
21 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.56051 0.927536
22 VAL PRO LEU ARG PRO MET THR TYR 0.558442 0.891892
23 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.552795 0.891892
24 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.551282 0.859155
25 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.550562 0.868421
26 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.550296 0.828947
27 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.547945 0.941176
28 ALA THR PRO PHE GLN GLU 0.546763 0.794118
29 LEU PRO PHE ASP LYS THR THR ILE MET 0.541401 0.847222
30 LEU PRO SER PHE GLU THR ALA LEU 0.540541 0.855072
31 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.539326 0.866667
32 ARG PRO MET THR TYR LYS GLY ALA LEU 0.535714 0.855263
33 DPN PRO ARG 0.535433 0.80597
34 TYR PRO LYS ARG ILE ALA 0.530201 0.885714
35 LYS PRO VAL LEU ARG THR ALA 0.527397 0.940298
36 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.527273 0.822785
37 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.525974 0.9
38 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.524096 0.864865
39 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.52381 0.891892
40 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.521978 0.855263
41 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.520958 0.929577
42 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.518987 0.857143
43 LEU PRO PHE ASP LYS SER THR ILE MET 0.509091 0.835616
44 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.505952 0.833333
45 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.502959 0.876712
46 DPN PRO DAR CYS NH2 0.5 0.794118
47 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.496933 0.813333
48 THR THR ALA PRO PHE LEU SER GLY LYS 0.496855 0.857143
49 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.496815 0.655172
50 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.49375 0.890411
51 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.493671 0.753425
52 TRP ASP ILE PRO PHE 0.492424 0.779412
53 ILE SER PRO ARG THR LEU ASP ALA TRP 0.491525 0.917808
54 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.490909 0.678161
55 LEU PRO PHE GLU LYS SER THR VAL MET 0.490798 0.821918
56 ILE THR ASP GLN VAL PRO PHE SER VAL 0.490566 0.869565
57 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.490323 0.887324
58 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.490323 0.808219
59 ALA ARG THR GLU LEU TYR ARG SER LEU 0.489933 0.75
60 ARG PRO LYS ARG ILE ALA 0.489655 0.880597
61 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.487952 0.849315
62 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.487342 0.826667
63 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.485207 0.970588
64 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.484848 0.915493
65 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.481928 0.794521
66 MET CYS PRO ARG MET THR ALA VAL MET 0.477987 0.901408
67 ARG ARG LEU ILE PHE NH2 0.477941 0.701493
68 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.476744 0.914286
69 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.476744 0.928571
70 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.475862 0.838235
71 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.473054 0.780822
72 ARG SEP PRO VAL PHE SER 0.471698 0.824324
73 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.470199 0.941176
74 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.469512 0.780822
75 PHE ASN ARG PRO VAL 0.469388 0.869565
76 1IP CYS PHE SER LYS PRO ARG 0.469136 0.861111
77 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.468354 0.797297
78 SER GLY ILE PHE LEU GLU THR SER 0.467626 0.666667
79 PHE ASN PHE PRO GLN ILE THR 0.467105 0.816901
80 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.467066 0.810811
81 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.466258 0.9
82 DTY ILE ARG LEU LPD 0.466216 0.871429
83 SER PRO ILE VAL PRO SER PHE ASP MET 0.465839 0.810811
84 ARG GLY PRO GLY CYS ALA PHE VAL THR ILE 0.465116 0.956522
85 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.464706 0.835616
86 SER ARG ASP HIS SER ARG THR PRO MET 0.464706 0.842105
87 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.464286 0.891892
88 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.464052 0.855072
89 ALA ARG MLZ SER ALA PRO ALA THR 0.464052 0.875
90 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.4625 0.830986
91 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.461538 0.734177
92 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.461538 0.849315
93 ASN ARG PRO ILE LEU SER LEU 0.46 0.9
94 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.458599 0.842857
95 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.458564 0.868421
96 SER SER TYR ARG ARG PRO VAL GLY ILE 0.457317 0.916667
97 GLY ASP CYS PHE SER LYS PRO ARG 0.457317 0.871429
98 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.456522 0.846154
99 LYS THR PHE PRO PRO THR GLU PRO LYS 0.45625 0.84058
100 GLY PHE ARG PRO 0.455882 0.808824
101 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.455128 0.884058
102 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.45509 0.835616
103 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.452941 0.901408
104 ACE ARG THR PRO SEP LEU PRO THR PIP 0.452229 0.807692
105 ARG THR PRO SEP LEU PRO THR 49F 0.45098 0.826667
106 ARG THR PRO SEP LEU PRO THR 0.45098 0.826667
107 SER GLU ILE GLU PHE ALA ARG LEU 0.45098 0.753623
108 SER ALA PRO ASP THR ARG PRO ALA 0.45098 0.873239
109 ASP LEU THR ARG PRO 0.450704 0.926471
110 PHE PRO THR LYS ASP VAL ALA LEU 0.450617 0.882353
111 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.45 0.77027
112 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.449102 0.888889
113 ASP PHE ALA ASN THR PHE LEU PRO 0.448052 0.805556
114 PHE ARG TYR LEU GLY 0.447552 0.684932
115 PHE TYR ARG ALA LEU MET 0.447368 0.644737
116 ACE ARG THR PRO SEP LEU PRO THR 60H 0.446429 0.820513
117 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.446237 0.795181
118 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.44586 0.746479
119 GLU THR VAL ARG PHE GLN SER ASP 0.445161 0.73913
120 3BY PRO LYS ARG ILE ALA 0.444444 0.819444
121 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.444444 0.805556
122 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.444444 0.835443
123 LEU SER SER PRO VAL THR LYS SER PHE 0.44375 0.867647
124 LYS LEU THR PRO LEU CYS VAL THR LEU 0.443709 0.852941
125 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.442424 0.756757
126 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.442424 0.833333
127 ALA THR ARG ASN PHE SER GLY 0.442177 0.728571
128 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.440678 0.7625
129 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.439759 0.734177
130 ALA DAL PRO PHE NIT 0.439716 0.617284
131 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.43956 0.863014
132 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.438596 0.739726
133 SER PRO LYS ARG ILE ALA 0.438356 0.882353
134 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.438272 0.876712
135 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.438272 0.716216
136 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.438202 0.821918
137 LEU PRO PRO GLU GLU ARG LEU ILE 0.437909 0.855072
138 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.4375 0.835443
139 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.437158 0.824324
140 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.436709 0.821918
141 5JP PRO LYS ARG ILE ALA 0.436242 0.857143
142 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.435897 0.819444
143 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.435583 0.753425
144 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.435583 0.753425
145 SER HIS PRO ARG PRO ILE ARG VAL 0.435583 0.915493
146 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.435065 0.941176
147 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.434783 0.855263
148 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.433962 0.828571
149 TYR PRO PHE PHE NH2 0.433824 0.680556
150 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.433735 0.808824
151 LEU ASN PHE PRO ILE SER PRO 0.433333 0.84507
152 ACE GLN GLU ARG GLU VAL PRO CYS 0.433333 0.814286
153 SER SER ILE GLU PHE ALA ARG LEU 0.433121 0.768116
154 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.432927 0.753623
155 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.432749 0.739726
156 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.432099 0.69863
157 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.432099 0.763889
158 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.432099 0.788732
159 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.431953 0.84507
160 ALA GLN PHE SER ALA SER ALA SER ARG 0.430556 0.724638
161 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.430303 0.816901
162 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.430233 0.77027
163 SER LEU ARG PHE LEU TYR GLU GLY 0.428571 0.716216
164 ARG LEU TYR HIS SEP LEU PRO ALA 0.428571 0.8
165 HIS SER ILE THR TYR LEU LEU PRO VAL 0.426901 0.837838
166 SER ARG TYR TRP ALA ILE ARG THR ARG 0.426901 0.773333
167 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.426667 0.736111
168 ALA PRO ASP THR ARG PRO ALA PRO 0.426667 0.885714
169 ILE MET ASP GLN VAL PRO PHE SER VAL 0.426035 0.808219
170 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.425806 0.757143
171 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.42515 0.689189
172 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.425 0.726027
173 LEU PHE GLY TYR PRO VAL TYR VAL 0.425 0.753425
174 ARG ILE PHE SER 0.42446 0.705882
175 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.423841 0.75
176 ALA ARG THR M3L GLN THR ALA ARG 0.423611 0.743243
177 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.423529 0.77027
178 THR PRO TYR ASP ILE ASN GLN MET LEU 0.423529 0.776316
179 PHE PRO ARG 0.423358 0.776119
180 GLU LEU LYS ARG LYS MET ILE TYR MET 0.423313 0.693333
181 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.423077 0.816901
182 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.423077 0.69863
183 ALA ARG SER HIS SEP TYR PRO ALA 0.422857 0.7875
184 GLY ASN PHE LEU GLN SER ARG 0.421053 0.757143
185 PRO GLN PTR GLU GLU ILE PRO ILE 0.420732 0.74026
186 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.420382 0.869565
187 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.419847 0.761194
188 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.41954 0.810811
189 ALA ALA LEU THR ARG ALA 0.419118 0.716418
190 GLY SER ASP PRO PHE LYS 0.418919 0.797101
191 ACE ARG THR PRO SEP LEU PRO GLY D4H 0.418478 0.810127
192 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.418182 0.830986
193 ALA PTR ARG 0.41791 0.618421
194 ARG THR PRO SEP LEU PRO GLY D4K 0.417582 0.790123
195 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.417143 0.77027
196 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.416667 0.811594
197 PRO PRO LYS ARG ILE ALA 0.416667 0.852941
198 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.416667 0.888889
199 DHI PRO PHE HIS LEU LEU VAL TYR 0.416185 0.756757
200 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.416149 0.760563
201 PRO LEU GLU PSA ARG LEU 0.416149 0.867647
202 ARG ARG ALA SEP ALA PRO LEU PRO 0.416149 0.789474
203 THR PRO ARG ARG SER MLZ SER ALA 0.416107 0.861111
204 LYS PRO PHE PTR VAL ASN VAL NH2 0.415663 0.7125
205 ALA LYS PHE ARG HIS ASP 0.414474 0.708333
206 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.414013 0.712329
207 ACE ARG THR PRO SEP LEU PRO GLY D3W 0.413978 0.771084
208 TRP GLU TYR ILE PRO ASN VAL 0.413793 0.763158
209 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.413793 0.75
210 SER LEU ILE PRO TPO PRO ASP LYS 0.41358 0.789474
211 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.413333 0.676471
212 SER SER GLY LYS VAL PRO LEU SER 0.413333 0.826087
213 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.412903 0.760563
214 SER THR SEP PRO THR PHE ASN LYS 0.412791 0.763158
215 ARG PRO LYS PRO LEU VAL ASP PRO 0.412162 0.838235
216 SER SER GLY LYS VAL PRO LEU 0.412162 0.811594
217 TYR TYR SER ILE ILE PRO HIS SER ILE 0.412121 0.813333
218 ACE ALA ALA ARG LBZ SER ALA PRO ALA 0.412121 0.898551
219 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.411765 0.84507
220 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.411429 0.794521
221 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.411043 0.805556
222 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.410596 0.657143
223 THR LYS PRO ARG 0.410448 0.791045
224 ALA ARG THR MLY GLN 0.410072 0.75
225 0G6 0.410072 0.8
226 PRO GLN PTR GLU PTR ILE PRO ALA 0.409639 0.721519
227 GLU LEU PRO LEU VAL LYS ILE 0.409091 0.779412
228 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.409091 0.823529
229 ACE GLY LYS SER PHE SER LYS PRO ARG 0.408805 0.802817
230 PRO SER ILE ASP ARG SER THR LYS PRO 0.408284 0.914286
231 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.407407 0.694444
232 THR PHE LYS LYS THR ASN 0.407143 0.681159
233 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.407143 0.611111
234 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.406593 0.666667
235 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.406061 0.788732
236 LYS VAL ILE THR PHE ILE ASP LEU 0.405229 0.720588
237 ARG VAL ALA SER PRO THR SER GLY VAL 0.405063 0.898551
238 ALA ILE PHE GLN SER SER MET THR LYS 0.405063 0.671233
239 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.404624 0.8
240 THR ARG ARG GLU THR GLN LEU 0.404255 0.75
241 ARG ARG GLU VAL HIS THR TYR TYR 0.403614 0.76
242 SER ASP TYR GLN ARG LEU 0.402778 0.704225
243 CYS THR PHE LYS THR LYS THR ASN 0.402778 0.671429
244 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.402597 0.735294
245 ASN LEU VAL PRO MET VAL ALA THR VAL 0.402516 0.767123
246 THR THR ALA PRO SER LEU SER GLY LYS 0.402516 0.828571
247 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.402439 0.808219
248 THR PRO PRO SER PRO PHE 0.401408 0.811594
249 PHQ LEU VAL ARG TYR 0.401316 0.666667
250 PHE GLU ASP LEU ARG VAL SER SER PHE 0.401235 0.732394
251 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.401235 0.732394
252 GLU LEU ASN ARG LYS MET ILE TYR MET 0.401163 0.710526
253 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.40113 0.725
254 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.4 0.849315
255 THR PHE GLN ALA PSA LEU ARG GLU 0.4 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA PHE ARG ILE PRO LEU THR ARG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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