Receptor
PDB id Resolution Class Description Source Keywords
1OAR 2.22 Å NON-ENZYME: IMMUNE FV IGE SPE-7 IN COMPLEX WITH ALIZARIN RED MUS MUSCULUS IMMUNE SYSTEM ANTIBODY-COMPLEX ANTIBODY ALLERGY IGE CONFORMATIONAL DIVERSITY MULTISPECIFICITY
Ref.: ANTIBODY MULTISPECIFICITY MEDIATED BY CONFORMATIONA DIVERSITY SCIENCE V. 299 1362 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZN H:500;
I:500;
J:500;
K:500;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 40 nM
320.274 C14 H8 O7 S c1ccc...
CAC H:201;
J:201;
 Invalid;
Invalid;
 none;
none;
 submit data
136.989 C2 H6 As O2 C[As]...
CL L:911;
L:912;
L:913;
M:913;
N:911;
J:912;
N:913;
O:913;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
DMS H:300;
H:301;
H:302;
H:303;
H:304;
H:305;
H:306;
J:300;
J:301;
J:302;
J:303;
J:304;
J:305;
J:306;
L:300;
L:301;
L:302;
L:303;
L:304;
N:300;
N:301;
N:302;
N:303;
N:304;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
EDO H:401;
J:401;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
NA H:903;
I:903;
J:903;
L:901;
M:903;
N:901;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OAU 1.8 Å NON-ENZYME: IMMUNE FV STRUCTURE OF THE IGE SPE-7 IN COMPLEX WITH DNP-SER (IMMUNISING HAPTEN) MUS MUSCULUS IMMUNE SYSTEM ANTIBODY/COMPLEX ANTIBODY ALLERGY IGE CONFORMATIONAL DIVERSITY MULTISPECIFICITY
Ref.: ANTIBODY MULTISPECIFICITY MEDIATED BY CONFORMATIONAL DIVERSITY SCIENCE V. 299 1362 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
2 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
3 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
4 1OAU Kd = 20 nM DNF SER n/a n/a
5 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1MFA Kd = 9.1 uM MMA GLA ABE n/a n/a
2 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
3 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
4 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
5 1OAU Kd = 20 nM DNF SER n/a n/a
6 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
8 3DUS - KDO C8 H14 O8 C1[C@H]([C....
9 3DUR - KDO C8 H14 O8 C1[C@H]([C....
10 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
11 3DUU - KDO C8 H14 O8 C1[C@H]([C....
12 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
13 5XCU - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
14 5XCS - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
15 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
16 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
17 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AZN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AZN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: AZN; Similar ligands found: 137
No: Ligand Similarity coefficient
1 AQN 0.9603
2 RHN 0.9300
3 IXM 0.9275
4 1EL 0.9220
5 NOM 0.9210
6 1YL 0.9153
7 8SK 0.9141
8 BRY 0.9140
9 FXE 0.9138
10 39Z 0.9120
11 ADL 0.9112
12 OAL 0.9100
13 SDN 0.9088
14 DY9 0.9025
15 CLI 0.9021
16 2AX 0.9020
17 QNM 0.9014
18 DX2 0.9012
19 19E 0.9006
20 AFT 0.9001
21 CUE 0.8998
22 EMO 0.8991
23 HC8 0.8989
24 609 0.8989
25 1TJ 0.8971
26 9TF 0.8969
27 NRA 0.8948
28 M3F 0.8938
29 62D 0.8932
30 824 0.8929
31 1WO 0.8922
32 EQU 0.8920
33 2V4 0.8912
34 IQZ 0.8902
35 HBI 0.8901
36 EST 0.8901
37 1DR 0.8901
38 BBP 0.8875
39 QUE 0.8864
40 5XL 0.8863
41 DX7 0.8863
42 2J1 0.8856
43 HNA 0.8855
44 6JM 0.8853
45 PQQ 0.8851
46 6JO 0.8850
47 J3Z 0.8845
48 FSE 0.8841
49 LIG 0.8841
50 E1K 0.8836
51 CC6 0.8832
52 9CE 0.8830
53 CZ0 0.8826
54 BIO 0.8825
55 KU1 0.8821
56 Q7U 0.8814
57 18E 0.8812
58 UN9 0.8810
59 KMP 0.8805
60 517 0.8791
61 ESM 0.8787
62 FNT 0.8783
63 LFN 0.8772
64 T21 0.8772
65 HRD 0.8771
66 ECS 0.8769
67 4HG 0.8768
68 JRO 0.8760
69 AHQ 0.8759
70 NGV 0.8759
71 CX6 0.8756
72 AP6 0.8756
73 1V3 0.8752
74 GNJ 0.8751
75 0SX 0.8749
76 3WL 0.8745
77 272 0.8735
78 TCR 0.8730
79 6VW 0.8728
80 AGI 0.8727
81 ARH 0.8725
82 6ZE 0.8722
83 LUM 0.8722
84 MNX 0.8720
85 E3U 0.8717
86 R18 0.8707
87 TXQ 0.8705
88 MRI 0.8703
89 ESR 0.8694
90 A05 0.8690
91 IDZ 0.8690
92 2QU 0.8685
93 K2C 0.8685
94 NKH 0.8683
95 17M 0.8673
96 1V4 0.8672
97 GNV 0.8670
98 6BK 0.8665
99 MYU 0.8664
100 1V8 0.8657
101 AO 0.8656
102 REF 0.8655
103 79X 0.8654
104 LU2 0.8653
105 5XK 0.8646
106 801 0.8644
107 BL4 0.8639
108 INR 0.8638
109 LI7 0.8634
110 20D 0.8626
111 SU9 0.8625
112 GNY 0.8623
113 1CE 0.8619
114 6TJ 0.8617
115 TES 0.8603
116 AOM 0.8603
117 9KZ 0.8595
118 BIT 0.8587
119 3Q0 0.8584
120 SAU 0.8580
121 IQA 0.8579
122 34L 0.8578
123 NIF 0.8574
124 EAE 0.8572
125 5NN 0.8569
126 6QT 0.8567
127 338 0.8561
128 MFR 0.8556
129 JTA 0.8555
130 P4L 0.8555
131 2LW 0.8553
132 2AN 0.8540
133 6F3 0.8538
134 AOI 0.8535
135 KN1 0.8521
136 AOX 0.8519
137 FX5 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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