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Receptor
PDB id Resolution Class Description Source Keywords
1FMB 1.8 Å EC: 3.4.23.16 EIAV PROTEASE COMPLEXED WITH THE INHIBITOR HBY-793 EQUINE INFECTIOUS ANEMIA VIRUS HYDROLASE (ACID PROTEINASE) RNA-DIRECTED DNA POLYMERASE ASPROTEASE ENDONUCLEASE POLYPROTEIN
Ref.: STRUCTURE OF EQUINE INFECTIOUS ANEMIA VIRUS PROTEIN COMPLEXED WITH AN INHIBITOR. PROTEIN SCI. V. 5 1453 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HYB A:201;
Valid;
none;
Ki = 0.1 nM
566.751 C32 H42 N2 O5 S CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FMB 1.8 Å EC: 3.4.23.16 EIAV PROTEASE COMPLEXED WITH THE INHIBITOR HBY-793 EQUINE INFECTIOUS ANEMIA VIRUS HYDROLASE (ACID PROTEINASE) RNA-DIRECTED DNA POLYMERASE ASPROTEASE ENDONUCLEASE POLYPROTEIN
Ref.: STRUCTURE OF EQUINE INFECTIOUS ANEMIA VIRUS PROTEIN COMPLEXED WITH AN INHIBITOR. PROTEIN SCI. V. 5 1453 1996
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1FMB Ki = 0.1 nM HYB C32 H42 N2 O5 S CC(C)[C@@H....
2 2FMB Ki = 2 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1FMB Ki = 0.1 nM HYB C32 H42 N2 O5 S CC(C)[C@@H....
2 2FMB Ki = 2 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1FMB Ki = 0.1 nM HYB C32 H42 N2 O5 S CC(C)[C@@H....
2 2FMB Ki = 2 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HYB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HYB 1 1
2 BAY 0.744681 0.885246
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FMB; Ligand: HYB; Similar sites found with APoc: 142
This union binding pocket(no: 1) in the query (biounit: 1fmb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5KBZ 3B2 None
2 2H29 DND None
3 3BZ3 YAM None
4 4G31 0WH None
5 2HKA C3S None
6 1P0Z FLC None
7 5TO8 7FM None
8 3KPB SAM None
9 4GC1 MAN MAN None
10 4WVO 3UZ None
11 5YZ2 AMP None
12 5YSS NAD None
13 4TR1 GSH None
14 4PSB GA3 None
15 3NUG NAD None
16 4XIZ LPP None
17 3JYY PPV 1.92308
18 4NW6 2NS 1.92308
19 5W0N UPU 2.88462
20 5I8T LAC 2.88462
21 4C2V YJA 3.84615
22 3W68 VIV 3.84615
23 5EYK 5U5 3.84615
24 4MSG 2C6 3.84615
25 4CZ1 VNJ 3.84615
26 5YBN AKG 3.84615
27 1JQY A32 3.8835
28 3OZV FAD 4.80769
29 4Y93 746 4.80769
30 5Z2L NDP 4.80769
31 4AGS GSH 4.80769
32 5O2N FLC 4.80769
33 1IZE IVA VAL VAL STA ALA STA 5.76923
34 3QDK QDK 5.76923
35 6GEH FAD 5.76923
36 2GMH UQ5 5.76923
37 2VZ0 D64 5.76923
38 2VZ0 NAP 5.76923
39 3OF1 CMP 5.76923
40 2WD7 NAP 5.76923
41 1OPB RET 5.76923
42 4ER2 IVA VAL VAL STA ALA STA 6.73077
43 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 6.73077
44 3VV1 GAL FUC 6.73077
45 1WKR IVA VAL VAL STA ALA STA 6.73077
46 3SRV S19 6.73077
47 4ZCC FAD 6.73077
48 4RYV ZEA 6.73077
49 6CMJ F6J 6.73077
50 1B1C FMN 6.73077
51 2C6Q NDP 6.73077
52 1G0N NDP 7.69231
53 3OCP CMP 7.69231
54 4URL XAM 7.69231
55 5W4W 9WG 7.69231
56 5G4L NDP 7.69231
57 4KBA 1QM 7.69231
58 5UR1 YY9 7.69231
59 5TDC NMM ILE PHE SER 7.89474
60 1LYB IVA VAL VAL STA ALA STA 8.65385
61 1CZI PRO PHI SMC NOR 8.65385
62 2BEK ATP 8.65385
63 3HB5 NAP 8.65385
64 1XSE NDP 8.65385
65 5B4T 3HR 8.65385
66 5B4T NAD 8.65385
67 5J1J ANP 8.65385
68 3FV3 IVA VAL VAL STA ALA STA 9.61539
69 4E93 GUI 9.61539
70 3D91 REM 10.5769
71 1ZAP A70 10.5769
72 1QS8 IVA VAL VAL STA ALA STA 10.5769
73 3OND ADN 10.5769
74 4WOE 3S5 10.5769
75 3KH5 AMP 10.5769
76 3KH5 ADP 10.5769
77 3OND NAD 10.5769
78 4LOO SB4 10.5769
79 4INB 1F6 10.5769
80 2VPY PCI 10.5769
81 2E56 MYR 10.5769
82 4GKV NAD 10.5769
83 4YZC STU 10.5769
84 5A1S FLC 11.5385
85 3PNA CMP 11.5385
86 1FQ5 0GM 12.5
87 3WD6 GSH 12.5
88 4K7O EKZ 12.5
89 4M52 M52 12.5
90 2BTO GTP 12.5
91 4FC7 COA 12.5
92 4FC7 NAP 12.5
93 2QZX IVA VAL VAL STA ALA STA 12.5
94 4UUU SAM 12.5
95 1KJ1 MAN 12.844
96 5M67 ADE 13.4615
97 5M67 NAD 13.4615
98 2WPB ZZI 13.4615
99 1EZ0 NAP 13.4615
100 4ZL4 4PK 14.4231
101 1QRP HH0 14.4231
102 3NZW BOC TY5 ALA RE0 ABN 14.4231
103 5C8W PCG 14.4231
104 5GWT SIN 15.3846
105 5GWT NAD 15.3846
106 3ZKN WZV 15.3846
107 4CMI NAP 15.3846
108 3JQG NAP 15.3846
109 4CM9 NAP 15.3846
110 3BMO NAP 15.3846
111 4CLR NAP 15.3846
112 6C99 EQY 15.3846
113 5K6A NAP 15.3846
114 5JDI NAP 15.3846
115 4CM8 NAP 15.3846
116 3JQ9 NAP 15.3846
117 5JDC NAP 15.3846
118 3JQF NAP 15.3846
119 3BMQ NAP 15.3846
120 2H6T IVA VAL VAL STA ALA STA 15.3846
121 1UVC STE 16.3462
122 3O9L LPN 16.3462
123 4GID 0GH 17.3077
124 6EJ2 B7E 17.3077
125 5JKG 6LF 19.2308
126 2QTR NXX 19.2308
127 4HA6 FAD 20.1923
128 3B82 NAD 20.1923
129 2GRU NAD 20.1923
130 5YIC 8VO 21.1538
131 2BJU IH4 21.1538
132 3ZXE PGZ 24.0385
133 1COY AND 25.9615
134 4WHZ 3NL 32.6923
135 6B3V ANP 34.6154
136 3WSJ MK1 39.4231
137 1BAI 0Q4 42.3077
138 3SM2 478 42.3077
139 5T2Z 017 46.1538
140 4L1A AB1 46.1538
141 4NPT 017 47.1154
142 4NJS G08 47.1154
Pocket No.: 2; Query (leader) PDB : 1FMB; Ligand: HYB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1fmb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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