Receptor
PDB id Resolution Class Description Source Keywords
4Y48 1.25 Å EC: 3.4.23.23 ENDOTHIAPEPSIN IN COMPLEX WITH FRAGMENT B50 CRYPHONECTRIA PARASITICA FRAGMENT SCREENING HYDROLASE INHIBITION
Ref.: STRUCTURES OF ENDOTHIAPEPSIN-FRAGMENT COMPLEXES FRO CRYSTALLOGRAPHIC FRAGMENT SCREENING USING A NOVEL, AND AFFORDABLE 96-COMPOUND FRAGMENT LIBRARY. ACTA CRYSTALLOGR.,SECT.F V. 72 346 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:401;
A:404;
A:405;
A:403;
A:402;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
DMS A:410;
A:411;
A:409;
A:408;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
ACT A:407;
A:406;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GLY PRO A:412;
Valid;
none;
submit data
171.176 n/a O=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ER2 2 Å EC: 3.4.23.23 THE ACTIVE SITE OF ASPARTIC PROTEINASES CRYPHONECTRIA PARASITICA ACID PROTEINASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: THE ACTIVE SITE OF ASPARTIC PROTEINASES FEBS LETT. V. 174 96 1984
Members (75)
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)....
70% Homology Family (141)
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 5RBV - RQD C10 H12 F N O2 COC(=O)[C@....
77 5RCG - REG C11 H20 N2 O2 C1CCC(C1)N....
78 5R1U - T9G C9 H13 N O CC[C@H](c1....
79 5RC3 - RAY C11 H14 F N O3 COCCOCC(=O....
80 5R21 - R9Y C11 H16 N2 CN1CCCc2c1....
81 5RCE - RE4 C11 H13 N5 Cc1cc(nc(n....
82 5RBS - R8V C9 H9 N O2 CN1[C@H](c....
83 5RBU - R97 C10 H10 N2 S Cc1csc(n1)....
84 5R2C - RE4 C11 H13 N5 Cc1cc(nc(n....
85 5R20 - R9V C14 H19 N O c1ccc(cc1)....
86 5RCC - RDV C12 H22 N2 O C1CCC(C1)C....
87 5RC4 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
88 5R25 - RBJ C8 H11 N O CNCc1ccc(c....
89 5HCT Ki = 0.0254 uM 61P C30 H30 N8 O2 c1ccc2c(c1....
90 5R1W - R8Y C10 H13 N O3 S CCN(CCC(=O....
91 5R23 - RAY C11 H14 F N O3 COCCOCC(=O....
92 5RC5 - RBG C10 H20 N2 O CC(C)(C)NC....
93 5RCB - RDM C12 H15 N O3 CC(=O)N[C@....
94 5RC6 - RBJ C8 H11 N O CNCc1ccc(c....
95 5RBQ - R8P C8 H9 N O3 C[C@@H](c1....
96 5R1V - R8S C5 H8 N4 O COc1ccnc(n....
97 5R1Z - R9M C6 H7 N O2 S c1csc(n1)C....
98 5R2B - RDY C12 H15 N O4 C[C@@H](C(....
99 5RC7 - AES C8 H10 F N O2 S c1cc(ccc1C....
100 5RBO - R8A C6 H8 N2 O c1cc(c(nc1....
101 5R26 - RCV C10 H13 N O3 COC(=O)COc....
102 5R1Y - R9J C11 H15 N O2 Cc1ccc(cc1....
103 5RBZ - R9S C9 H11 N O Cc1ccccc1C....
104 5R1X - RQD C10 H12 F N O2 COC(=O)[C@....
105 5RC8 - RCV C10 H13 N O3 COC(=O)COc....
106 5RC9 - RD4 C9 H12 N2 O [H]/N=C(c1....
107 5RBY - R9M C6 H7 N O2 S c1csc(n1)C....
108 5RCF - RE7 C13 H16 F N3 C[C@H](c1c....
109 5R24 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
110 5R28 - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
111 5RBT - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
112 5RCD - RDY C12 H15 N O4 C[C@@H](C(....
113 5RBR - R8S C5 H8 N4 O COc1ccnc(n....
114 5R2D - REG C11 H20 N2 O2 C1CCC(C1)N....
115 5RC0 - R9V C14 H19 N O c1ccc(cc1)....
116 5R29 - RDM C12 H15 N O3 CC(=O)N[C@....
117 5R1T - R8A C6 H8 N2 O c1cc(c(nc1....
118 5R2A - RDV C12 H22 N2 O C1CCC(C1)C....
119 5R27 - RD4 C9 H12 N2 O [H]/N=C(c1....
120 5RBX - R9J C11 H15 N O2 Cc1ccc(cc1....
121 5RC1 - R9Y C11 H16 N2 CN1CCCc2c1....
122 5RCA - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
123 5R22 - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
124 5RC2 - R8Y C10 H13 N O3 S CCN(CCC(=O....
125 5RBW - R9G C12 H15 N O2 COc1cccc(c....
126 5RBP - SYG C9 H13 N O CC[C@@H](c....
127 1PPM Ki = 1600 nM 0P1 C29 H40 N3 O9 P C[C@@H](C(....
128 2WED Ki = 0.8 uM PP6 C29 H32 N2 O7 P CC(C)[C@H]....
129 1APU Ki = 1.6 nM IVA VAL VAL 32L n/a n/a
130 2WEC Ki = 110 uM PP5 C28 H32 N2 O7 P CC(C)[C@@H....
131 1APW Ki = 10 nM IVA VAL VAL DFI NME n/a n/a
132 1PPL Ki = 2.8 nM 1Z7 C30 H50 N3 O8 P CC(C)C[C@H....
133 2WEB Ki = 7.6 uM PP4 C28 H32 N2 O7 P CC(C)[C@@H....
134 2WEA - PP6 C29 H32 N2 O7 P CC(C)[C@H]....
135 1BXO Ki = 0.1 nM PP7 C30 H47 N4 O9 P CC(C)C[C@@....
136 1APT - IVA VAL VAL LTA n/a n/a
137 1PPK Ki = 22 nM IVV C24 H46 N3 O7 P CCOC(=O)C[....
138 1BXQ Ki = 42 nM PP8 C29 H47 N4 O9 P CC(C)C[C@H....
139 1APV Ki = 1 nM IVA VAL VAL DFO NME n/a n/a
140 1IZE - IVA VAL VAL STA ALA STA n/a n/a
141 3EMY - IVA VAL VAL STA ALA STA 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: GLY PRO; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY PRO 1 1
2 GLY SIN PRO 0.509804 0.956522
3 PRO GLY PRO 0.490909 0.88
4 ALA PRO 0.488889 0.869565
5 SER PRO 0.479167 0.843137
6 LEU PRO 0.45098 0.836735
7 GHE 0.416667 0.78
8 LYS PRO 0.410714 0.895833
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY PRO; Similar ligands found: 712
No: Ligand Similarity coefficient
1 N7P 0.9459
2 V6F 0.9369
3 X8Z 0.9332
4 2TQ 0.9289
5 TRA 0.9281
6 AN0 0.9251
7 URC 0.9244
8 SLC 0.9238
9 OTD 0.9235
10 ATH 0.9214
11 ASC 0.9205
12 2MN 0.9200
13 GAL 0.9198
14 YQA 0.9193
15 NFQ 0.9185
16 TRC 0.9179
17 3Z8 0.9171
18 NTM 0.9170
19 8TX 0.9169
20 6CS 0.9163
21 MCO 0.9163
22 AIN 0.9163
23 FPK 0.9159
24 GV9 0.9148
25 293 0.9147
26 F0J 0.9140
27 3MG 0.9139
28 DOR 0.9137
29 S76 0.9136
30 ORO 0.9132
31 GLC 0.9132
32 V55 0.9125
33 4ME 0.9125
34 FLC 0.9121
35 ICT 0.9120
36 PHT 0.9120
37 2A7 0.9120
38 O2A 0.9119
39 Q88 0.9115
40 IT9 0.9113
41 F12 0.9102
42 VPR 0.9099
43 SR4 0.9099
44 CDV 0.9097
45 OEM 0.9094
46 CIT 0.9092
47 MAN 0.9086
48 EV0 0.9084
49 HJP 0.9081
50 1AL 0.9080
51 CCB 0.9076
52 D1X 0.9072
53 NCD 0.9068
54 LSA 0.9066
55 Q6T 0.9063
56 SXS 0.9063
57 OXC 0.9062
58 7NI 0.9062
59 4M4 0.9061
60 3C7 0.9058
61 AME 0.9056
62 QAT 0.9055
63 GZ8 0.9052
64 GM7 0.9051
65 9MG 0.9050
66 SF9 0.9050
67 3NT 0.9048
68 J01 0.9045
69 2AL 0.9045
70 SF6 0.9044
71 BMA 0.9044
72 MEV 0.9043
73 ISD 0.9042
74 GJS 0.9042
75 GLG 0.9041
76 SWA 0.9041
77 KLW 0.9040
78 MWP 0.9040
79 QAS 0.9040
80 3Z7 0.9040
81 PRZ 0.9038
82 ZZ8 0.9036
83 G2F 0.9036
84 KT7 0.9031
85 OIA 0.9029
86 TVP 0.9027
87 NTC 0.9022
88 KIB 0.9018
89 EUG 0.9018
90 AS3 0.9018
91 B55 0.9017
92 0P6 0.9012
93 AFR 0.9012
94 IPZ 0.9011
95 II6 0.9011
96 BGC 0.9009
97 AKH 0.9009
98 G3F 0.9009
99 BDP 0.9009
100 QDK 0.9008
101 CWS 0.9006
102 G4D 0.9005
103 SKM 0.9002
104 8VN 0.9002
105 VNL 0.9002
106 CWM 0.8999
107 RM1 0.8998
108 42C 0.8997
109 AHR 0.8992
110 ES0 0.8989
111 45L 0.8988
112 NOJ 0.8981
113 FOT 0.8979
114 329 0.8978
115 GAB 0.8978
116 TLA 0.8976
117 J9T 0.8976
118 DIG 0.8976
119 UNC 0.8976
120 GLA 0.8975
121 GUN 0.8975
122 ZZ3 0.8973
123 IJZ 0.8972
124 MLT 0.8971
125 53C 0.8970
126 2D0 0.8967
127 KBG 0.8967
128 75K 0.8967
129 GAF 0.8967
130 GLO 0.8966
131 XAN 0.8966
132 3OC 0.8964
133 8IG 0.8963
134 PXL 0.8962
135 DIE 0.8962
136 0LH 0.8962
137 4HM 0.8961
138 AUD 0.8960
139 DMO 0.8959
140 GCU 0.8958
141 ZWZ 0.8958
142 M1H 0.8958
143 GIV 0.8957
144 0OC 0.8957
145 9DG 0.8956
146 I3A 0.8953
147 XUL 0.8951
148 KUF 0.8950
149 BE2 0.8950
150 5NU 0.8949
151 5HY 0.8948
152 34D 0.8947
153 FRU 0.8945
154 GIO 0.8945
155 12M 0.8945
156 261 0.8944
157 ENL 0.8944
158 XYL 0.8943
159 RB5 0.8943
160 HLZ 0.8941
161 7B4 0.8939
162 069 0.8938
163 2ZQ 0.8937
164 B3U 0.8934
165 GLY ASP 0.8934
166 INE 0.8933
167 KIA 0.8933
168 6M4 0.8932
169 K3Q 0.8932
170 7MU 0.8931
171 DBJ 0.8927
172 PZI 0.8926
173 AZF 0.8925
174 AW5 0.8924
175 XAZ 0.8924
176 2H5 0.8924
177 3HA 0.8923
178 DBH 0.8921
179 8CM 0.8920
180 HPA 0.8919
181 GYP 0.8918
182 1P3 0.8918
183 IFM 0.8916
184 ZB1 0.8916
185 GCS 0.8916
186 B5D 0.8915
187 GTQ 0.8915
188 5JQ 0.8915
189 ZXD 0.8915
190 LCN 0.8913
191 5JL 0.8912
192 K2P 0.8912
193 3HB 0.8912
194 LGC 0.8912
195 ASO 0.8911
196 5MK 0.8910
197 7VS 0.8910
198 DHK 0.8908
199 5WX 0.8908
200 GXL 0.8907
201 URQ 0.8907
202 6LW 0.8907
203 5RG 0.8907
204 XX3 0.8906
205 BTY 0.8906
206 8GC 0.8905
207 TFU 0.8903
208 1LQ 0.8903
209 7HQ 0.8903
210 7ZE 0.8902
211 GTR 0.8902
212 1WD 0.8901
213 GIF 0.8901
214 7WR 0.8901
215 R8S 0.8901
216 VOH 0.8901
217 SHA 0.8900
218 HXX 0.8900
219 1Z8 0.8899
220 ZZT 0.8898
221 SAL 0.8897
222 0W8 0.8896
223 NMJ 0.8895
224 SX1 0.8894
225 IFL 0.8894
226 3MB 0.8893
227 8EW 0.8892
228 MMA 0.8892
229 54G 0.8891
230 NOY 0.8891
231 OXZ 0.8891
232 X6X 0.8890
233 4VY 0.8890
234 3AB 0.8890
235 TAG 0.8889
236 FYU 0.8888
237 CRN 0.8887
238 FP1 0.8885
239 2PG 0.8884
240 95Z 0.8884
241 AKG 0.8884
242 JBH 0.8884
243 MBG 0.8883
244 5M0 0.8883
245 1LM 0.8883
246 AZA 0.8882
247 N5J 0.8881
248 2EC 0.8881
249 1U1 0.8880
250 OVM 0.8880
251 LKA 0.8880
252 5HN 0.8879
253 ROR 0.8879
254 8S0 0.8879
255 3XX 0.8878
256 1GN 0.8878
257 0GY 0.8877
258 AX3 0.8877
259 FUL 0.8876
260 H76 0.8876
261 NGO 0.8876
262 JPZ 0.8876
263 SRO 0.8876
264 ES1 0.8876
265 8WT 0.8875
266 EMZ 0.8875
267 GAG 0.8874
268 4XR 0.8873
269 DZX 0.8873
270 5IQ 0.8872
271 XQG 0.8872
272 3DM 0.8872
273 KJY 0.8871
274 BDF 0.8871
275 OW4 0.8871
276 4XV 0.8870
277 3IT 0.8869
278 2LP 0.8869
279 141 0.8869
280 5SG 0.8869
281 QBK 0.8868
282 ISZ 0.8868
283 JND 0.8867
284 A7W 0.8867
285 4CS 0.8866
286 1NP 0.8866
287 1XN 0.8865
288 KOJ 0.8865
289 GLU 0.8864
290 3R9 0.8863
291 1SQ 0.8863
292 OVV 0.8862
293 GDE 0.8861
294 1XM 0.8861
295 RIB 0.8861
296 3AL 0.8860
297 HMU 0.8859
298 G5V 0.8859
299 2FG 0.8859
300 6JN 0.8859
301 AMG 0.8859
302 5Q0 0.8857
303 J9W 0.8857
304 DMJ 0.8857
305 BHA 0.8857
306 DHB 0.8856
307 MNM 0.8856
308 AZG 0.8856
309 3CU 0.8856
310 GLY CYS 0.8855
311 APZ 0.8852
312 4YS 0.8852
313 PEZ 0.8850
314 DOB 0.8850
315 IF7 0.8849
316 7FF 0.8849
317 FUC 0.8849
318 4P0 0.8849
319 9TZ 0.8846
320 BOA 0.8846
321 DNF 0.8846
322 SWD 0.8845
323 ADE 0.8844
324 1P7 0.8844
325 4HC 0.8842
326 DQU 0.8842
327 5RN 0.8842
328 Z5P 0.8841
329 PDC 0.8841
330 Z6J 0.8841
331 94B 0.8840
332 WCE 0.8840
333 FA1 0.8840
334 CKU 0.8839
335 LFR 0.8838
336 AGK 0.8837
337 RAM 0.8837
338 BTE 0.8837
339 7HP 0.8836
340 DHS 0.8836
341 SC2 0.8834
342 Q71 0.8833
343 DEE 0.8833
344 FEH 0.8832
345 R8V 0.8831
346 DGJ 0.8830
347 GLY LEU 0.8829
348 HIS 0.8828
349 091 0.8828
350 MA3 0.8828
351 DBX 0.8828
352 TTL 0.8827
353 QM1 0.8827
354 INO 0.8827
355 B62 0.8826
356 HQY 0.8826
357 XLS 0.8826
358 NXA 0.8824
359 3F0 0.8823
360 5CU 0.8823
361 51R 0.8823
362 BHO 0.8822
363 3M0 0.8822
364 IGA 0.8822
365 GLF 0.8821
366 3MV 0.8821
367 QX4 0.8821
368 F31 0.8819
369 4ZC 0.8818
370 KYD 0.8818
371 PA1 0.8817
372 SHG 0.8817
373 23J 0.8817
374 3MA 0.8816
375 3BZ 0.8815
376 1X7 0.8815
377 GLT 0.8815
378 92P 0.8815
379 CFP 0.8814
380 O72 0.8812
381 AEH 0.8811
382 RBL 0.8811
383 EPR 0.8811
384 RMN 0.8808
385 A29 0.8808
386 EYK 0.8807
387 BRT 0.8807
388 YSO 0.8807
389 ICO 0.8807
390 KDF 0.8806
391 YH7 0.8806
392 3C2 0.8805
393 DFU 0.8804
394 8WO 0.8802
395 GT0 0.8800
396 MFB 0.8799
397 A2F 0.8799
398 B2J 0.8799
399 MUA 0.8799
400 ADA 0.8798
401 4XS 0.8798
402 2M5 0.8796
403 4NC 0.8796
404 4XH 0.8795
405 M0Q 0.8795
406 149 0.8794
407 B53 0.8792
408 GZL 0.8792
409 UAN 0.8792
410 LT2 0.8791
411 2ZX 0.8791
412 D07 0.8791
413 LYL 0.8790
414 FA3 0.8790
415 C2U 0.8790
416 1N4 0.8790
417 OAA 0.8789
418 DAS 0.8789
419 XXG 0.8789
420 44V 0.8789
421 BR8 0.8788
422 3R6 0.8787
423 NIZ 0.8785
424 ERH 0.8785
425 6AP 0.8785
426 ALL 0.8785
427 NCT 0.8784
428 SR1 0.8784
429 HLD 0.8784
430 PSV 0.8784
431 FF3 0.8784
432 YIO 0.8783
433 8NX 0.8783
434 290 0.8782
435 DNC 0.8779
436 JFJ 0.8779
437 URF 0.8778
438 ADK 0.8776
439 5B1 0.8775
440 VNJ 0.8774
441 HNQ 0.8774
442 6ME 0.8774
443 FSW 0.8773
444 10L 0.8773
445 5AC 0.8773
446 5QX 0.8771
447 E7Z 0.8770
448 5WY 0.8770
449 60Q 0.8770
450 MXN 0.8770
451 A13 0.8769
452 0CU 0.8769
453 LDP 0.8769
454 HHA 0.8768
455 HH5 0.8768
456 NGT 0.8768
457 FUF 0.8768
458 9DA 0.8768
459 9BZ 0.8767
460 4NG 0.8766
461 SOE 0.8766
462 FA0 0.8766
463 E35 0.8765
464 86J 0.8765
465 MRW 0.8764
466 9HX 0.8763
467 MVL 0.8762
468 15L 0.8760
469 H7Y 0.8760
470 32O 0.8758
471 HIO 0.8758
472 EVA 0.8757
473 PXM 0.8756
474 6R8 0.8756
475 REL 0.8755
476 3AY 0.8755
477 G2H 0.8753
478 DFB 0.8753
479 P9P 0.8751
480 6GU 0.8751
481 42A 0.8751
482 ASP 0.8750
483 7WA 0.8749
484 MFU 0.8749
485 DIN 0.8749
486 Q24 0.8747
487 QPR 0.8746
488 WOO 0.8745
489 24W 0.8744
490 CTL 0.8744
491 9RH 0.8743
492 6UA 0.8743
493 BP1 0.8743
494 LZM 0.8742
495 93K 0.8741
496 XX2 0.8740
497 M1Q 0.8740
498 6MP 0.8740
499 790 0.8739
500 OXQ 0.8739
501 9TW 0.8739
502 XYP 0.8738
503 JZ4 0.8738
504 BSX 0.8738
505 FBG 0.8738
506 4MU 0.8736
507 2XX 0.8734
508 XXR 0.8733
509 GCV 0.8733
510 DX4 0.8732
511 FGZ 0.8732
512 C2Y 0.8731
513 4M0 0.8731
514 UEG 0.8729
515 ADZ 0.8727
516 13X 0.8727
517 FBV 0.8727
518 PM6 0.8726
519 2HO 0.8726
520 QIC 0.8725
521 GRO 0.8723
522 X09 0.8723
523 8GK 0.8723
524 BZ3 0.8723
525 RIP 0.8722
526 OTW 0.8722
527 M2K 0.8721
528 1XA 0.8721
529 PRF 0.8720
530 AX2 0.8720
531 AQO 0.8720
532 MD0 0.8720
533 MO8 0.8719
534 25W 0.8719
535 SRT 0.8717
536 N8P 0.8717
537 IV2 0.8717
538 7ME 0.8716
539 HX3 0.8716
540 AZ8 0.8715
541 GOX 0.8715
542 M5N 0.8711
543 M5K 0.8711
544 3C1 0.8710
545 7MH 0.8709
546 CN0 0.8709
547 6PC 0.8708
548 LMR 0.8706
549 NID 0.8706
550 8G0 0.8705
551 VC2 0.8705
552 FH2 0.8704
553 DGL 0.8702
554 2DR 0.8702
555 Q7A 0.8701
556 67X 0.8700
557 F9P 0.8700
558 B0D 0.8699
559 AJ2 0.8699
560 PE0 0.8699
561 7VJ 0.8699
562 FE DB1 0.8698
563 5ZE 0.8698
564 AOS 0.8698
565 RPQ 0.8698
566 MEW 0.8698
567 FBU 0.8697
568 0GZ 0.8697
569 SOR 0.8697
570 INS 0.8697
571 GCB 0.8694
572 VXX 0.8693
573 F05 0.8693
574 MSN 0.8692
575 FBM 0.8691
576 2A9 0.8691
577 GYE 0.8691
578 DIU 0.8689
579 3RK 0.8688
580 CFI 0.8688
581 HQD 0.8687
582 MT0 0.8687
583 KBB 0.8685
584 7N0 0.8685
585 2C2 0.8684
586 GBD 0.8683
587 VK3 0.8682
588 MLE 0.8681
589 ONR 0.8681
590 JZ3 0.8681
591 WBU 0.8681
592 T6C 0.8680
593 948 0.8680
594 TMH 0.8679
595 KJU 0.8677
596 XXP 0.8676
597 MHK 0.8676
598 MZB 0.8675
599 8XQ 0.8675
600 ES4 0.8675
601 K6H 0.8674
602 OMD 0.8674
603 PAF 0.8674
604 HDL 0.8674
605 L3Q 0.8674
606 9KH 0.8673
607 RSF 0.8671
608 JTH 0.8671
609 HZQ 0.8671
610 NDM 0.8668
611 GTZ 0.8667
612 ICF 0.8667
613 CHB 0.8666
614 MYJ 0.8666
615 SVN 0.8665
616 FDK 0.8664
617 CIZ 0.8662
618 GOO 0.8662
619 GTC 0.8662
620 R9Y 0.8661
621 TWO 0.8659
622 KPL 0.8659
623 0F9 0.8658
624 BEN 0.8656
625 XSP 0.8656
626 2HQ 0.8656
627 MT5 0.8655
628 HMH 0.8655
629 82I 0.8652
630 7UC 0.8651
631 0FO 0.8651
632 2FY 0.8650
633 3U4 0.8650
634 60P 0.8649
635 XHP 0.8648
636 CTS 0.8647
637 EDR 0.8645
638 ES6 0.8644
639 P22 0.8643
640 9PY 0.8642
641 ASN 0.8642
642 12B 0.8641
643 GOG 0.8640
644 61O 0.8636
645 LEU 0.8634
646 F81 0.8632
647 7WV 0.8631
648 M1E 0.8631
649 N8Y 0.8629
650 0W1 0.8628
651 5ZZ 0.8623
652 NCA 0.8620
653 5OB 0.8620
654 NTZ 0.8620
655 44W 0.8619
656 20J 0.8617
657 JKZ 0.8616
658 SOL 0.8616
659 HY3 0.8615
660 IHB 0.8615
661 C2A 0.8614
662 BCU 0.8614
663 MJ2 0.8614
664 KTA 0.8614
665 AH8 0.8613
666 9R5 0.8610
667 DRL 0.8609
668 28N 0.8608
669 4A5 0.8607
670 RJY 0.8606
671 5XC 0.8606
672 I1N 0.8605
673 SVD 0.8603
674 PD2 0.8603
675 XCZ 0.8599
676 HCA 0.8597
677 LYS 0.8595
678 A9O 0.8595
679 TBP 0.8594
680 3PO 0.8593
681 JR2 0.8591
682 L99 0.8590
683 8GL 0.8589
684 GZQ 0.8589
685 4TE 0.8586
686 TSS 0.8584
687 UGC 0.8576
688 LRH 0.8576
689 MED 0.8575
690 XQ0 0.8574
691 JIF 0.8574
692 P4B 0.8570
693 PH2 0.8570
694 NZ2 0.8565
695 HY1 0.8565
696 3ID 0.8564
697 CAX 0.8559
698 7B3 0.8558
699 R9S 0.8555
700 GNL 0.8551
701 LNR 0.8547
702 G6D 0.8547
703 NSG 0.8543
704 ABE 0.8543
705 9UG 0.8542
706 4SV 0.8541
707 NAG 0.8534
708 KIF 0.8534
709 X0W 0.8532
710 NBG 0.8527
711 ORN 0.8522
712 7I2 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ER2; Ligand: IVA VAL VAL STA ALA STA; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4er2.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 1J71 THR ILE THR SER 42.4242
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