Receptor
PDB id Resolution Class Description Source Keywords
2CM4 1.9 Å NON-ENZYME: OTHER THE COMPLEMENT INHIBITOR OMCI IN COMPLEX WITH RICINOLEIC ACID ORNITHODOROS MOUBATA ORNITHODOROS MOUBATA C5 TICK OMCI LIPOCALIN INHIBITOR COMPLEMENT
Ref.: THE STRUCTURE OF OMCI, A NOVEL LIPOCALIN INHIBITOR OF THE COMPLEMENT SYSTEM. J.MOL.BIOL. V. 369 784 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1169;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
RCL A:1170;
Valid;
none;
submit data
298.461 C18 H34 O3 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CM4 1.9 Å NON-ENZYME: OTHER THE COMPLEMENT INHIBITOR OMCI IN COMPLEX WITH RICINOLEIC ACID ORNITHODOROS MOUBATA ORNITHODOROS MOUBATA C5 TICK OMCI LIPOCALIN INHIBITOR COMPLEMENT
Ref.: THE STRUCTURE OF OMCI, A NOVEL LIPOCALIN INHIBITOR OF THE COMPLEMENT SYSTEM. J.MOL.BIOL. V. 369 784 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2CM4 - RCL C18 H34 O3 CCCCCC[C@H....
2 2CM9 - RCL C18 H34 O3 CCCCCC[C@H....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2CM4 - RCL C18 H34 O3 CCCCCC[C@H....
2 2CM9 - RCL C18 H34 O3 CCCCCC[C@H....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2CM4 - RCL C18 H34 O3 CCCCCC[C@H....
2 2CM9 - RCL C18 H34 O3 CCCCCC[C@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RCL; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 RCL 1 1
2 OLA 0.625 0.88
3 NER 0.625 0.88
4 PAM 0.625 0.88
5 VCA 0.625 0.88
6 ELA 0.625 0.88
7 MYZ 0.571429 0.84
8 EIC 0.537037 0.846154
9 ODD 0.5 0.846154
10 243 0.5 0.961538
11 T25 0.476923 0.75
12 11A 0.468085 0.84
13 STE 0.468085 0.84
14 TDA 0.468085 0.84
15 F23 0.468085 0.84
16 KNA 0.468085 0.84
17 DAO 0.468085 0.84
18 PLM 0.468085 0.84
19 F15 0.468085 0.84
20 DKA 0.468085 0.84
21 DCR 0.468085 0.84
22 MYR 0.468085 0.84
23 LNL 0.465517 0.769231
24 T24 0.454545 0.884615
25 MVC 0.453125 0.705882
26 OLB 0.453125 0.705882
27 OLC 0.453125 0.705882
28 OCA 0.446809 0.84
29 10Y 0.4375 0.6875
30 10X 0.4375 0.6875
31 EAH 0.434783 0.961538
32 SHV 0.425532 0.8
33 ODT 0.423729 0.730769
34 M12 0.423077 0.740741
35 78M 0.415385 0.705882
36 78N 0.415385 0.705882
37 KTC 0.415094 0.884615
38 HXD 0.4 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CM4; Ligand: RCL; Similar sites found: 134
This union binding pocket(no: 1) in the query (biounit: 2cm4.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YMZ LAT 0.004483 0.44128 None
2 2E56 MYR 0.002651 0.42768 None
3 1OGX EQU 0.0005102 0.42014 None
4 3T2W BTN 0.009002 0.41767 None
5 5NCF 8T5 0.0001772 0.41064 None
6 5FUI APY 0.009852 0.40638 None
7 3STD MQ0 0.002947 0.41825 1.33333
8 4PSB GA3 0.003803 0.42472 2
9 5FS0 5JC 0.01678 0.4085 2
10 1IIU RTL 0.004075 0.40719 2
11 3PE2 E1B 0.01768 0.405 2
12 4Z28 BTN 0.02043 0.40021 2.23881
13 2CDO GAL AAL GAL AAL GAL AAL 0.007187 0.43811 2.5
14 4XCB AKG 0.002304 0.45725 2.66667
15 1ULE GLA GAL NAG 0.00521 0.43408 2.66667
16 3WV6 GAL GLC 0.007204 0.42252 2.66667
17 3WV6 GAL BGC 0.01145 0.41075 2.66667
18 4BQY FNT 0.006839 0.40094 2.66667
19 5AIG VPR 0.002511 0.44474 3.2
20 1DZK PRZ 0.001051 0.44829 3.33333
21 4UWJ MYA 0.007773 0.43432 3.33333
22 4UWJ 7L5 0.007773 0.43432 3.33333
23 1T27 PCW 0.003859 0.43322 3.33333
24 2X32 OTP 0.004692 0.43312 3.33333
25 2X34 UQ8 0.005921 0.4285 3.33333
26 1ODM ASV 0.003881 0.41317 3.33333
27 3E2M E2M 0.02431 0.40554 3.33333
28 4YGF AZM 0.006514 0.40516 3.33333
29 3MPB FRU 0.013 0.40215 3.33333
30 5JZJ AN2 0.01095 0.40201 3.33333
31 1EPB REA 0.0002986 0.4731 4
32 4P7X YCP 0.001717 0.43439 4
33 2E40 LGC 0.01108 0.42269 4
34 2AGC DAO 0.009067 0.42194 4
35 2CFM AMP 0.007762 0.42082 4
36 4P7X AKG 0.001717 0.41045 4
37 5C5T AKG 0.02179 0.40277 4
38 4U0W 16G 0.009071 0.40223 4
39 4ZU4 4TG 0.005806 0.40734 4.05405
40 2A4W BLM 0.00156 0.43477 4.34783
41 4XBT FLC 0.004237 0.41695 4.51613
42 4XBT 3ZQ 0.009014 0.40235 4.51613
43 4FFG LBS 0.0007878 0.46474 4.66667
44 1GUI BGC BGC BGC BGC BGC BGC 0.003725 0.44653 4.66667
45 4Q0L V14 0.002133 0.42421 4.66667
46 5CJF 520 0.005386 0.42415 4.66667
47 5LDQ NAP 0.01048 0.42296 4.66667
48 4FFG 0U8 0.005568 0.41565 4.66667
49 1UZ4 IFL 0.01608 0.41143 4.66667
50 4QJP V1F 0.001523 0.40904 4.66667
51 4ANW O92 0.009422 0.40497 4.66667
52 4YMJ 4EJ 0.02558 0.40474 4.66667
53 5AYI BGC 0.02658 0.40251 4.66667
54 1LFO OLA 0.005084 0.40985 4.6875
55 5OO5 UUA 0.0001903 0.48198 4.83871
56 4OYA 1VE 0.001839 0.46327 5.33333
57 3PUR 2HG 0.005053 0.44197 5.33333
58 2CYC TYR 0.005227 0.44183 5.33333
59 4COQ SAN 0.006354 0.437 5.33333
60 1Y42 TYR 0.006097 0.43553 5.33333
61 2X4Z X4Z 0.007332 0.41216 5.33333
62 2ZHL NAG GAL GAL NAG 0.009923 0.4115 5.40541
63 1OGZ EQU 0.001484 0.40091 5.6
64 4JH6 FCN 0.007668 0.42559 5.7971
65 5EW9 5VC 0.01482 0.43586 6
66 3PFG TLO 0.004371 0.42978 6
67 4WOE ADP 0.008706 0.42972 6
68 3LVW GSH 0.007828 0.41318 6
69 2WQN ADP 0.01376 0.40472 6
70 2NLR BGC BGC G2F SHG 0.01149 0.40466 6
71 1IA9 ANP 0.006988 0.40383 6
72 5KO1 6UY 0.01039 0.40305 6
73 1EYE PMM 0.01673 0.40064 6
74 5ML3 DL3 0.001006 0.45391 6.04027
75 1I7A PHE 0.0002475 0.48705 6.30631
76 4YVN EBS 0.001364 0.47242 6.66667
77 2GJ5 VD3 0.003046 0.43253 6.66667
78 5T7I LAT NAG GAL 0.01077 0.42389 6.66667
79 1F1V DHY 0.01502 0.41092 6.66667
80 3HMO STU 0.007227 0.41024 6.66667
81 2E9L BGC 0.01436 0.40352 6.66667
82 2E9L PLM 0.01363 0.40352 6.66667
83 2E9L OLA 0.01436 0.40352 6.66667
84 5FWJ MMK 0.02116 0.40343 6.66667
85 4FHD 0TT 0.0113 0.40151 6.66667
86 4FHD EEM 0.0113 0.40151 6.66667
87 5L2J 70E 0.02333 0.41278 7.14286
88 5L2J 6UL 0.02203 0.41278 7.14286
89 3FW3 ETS 0.001252 0.45947 7.33333
90 1Y0G 8PP 0.001056 0.45866 7.33333
91 5L6G XYP 0.003479 0.45135 7.33333
92 2IGA XX3 0.005576 0.41165 7.33333
93 4TS1 TYR 0.01789 0.41143 7.33333
94 5LRT ADP 0.004809 0.40922 7.33333
95 3VQ2 LP4 LP5 MYR DAO 0.01653 0.40457 7.63889
96 3OCP CMP 0.004061 0.43456 7.91367
97 3RGA LSB 0.00004443 0.46679 8
98 5GNX BGC 0.01059 0.42434 8
99 4O9S 2RY 0.0006328 0.41704 8
100 1LSH PLD 0.01063 0.40016 8
101 4NJS G08 0.01123 0.40162 9.09091
102 3A6T 8OG 0.009027 0.40584 9.30233
103 1WUB OTP 0.000967 0.46039 9.33333
104 5KJW 53C 0.007719 0.43128 9.33333
105 4XDA RIB 0.006536 0.42447 9.33333
106 5W0N UPU 0.01302 0.41855 9.33333
107 3KV4 OGA 0.01991 0.41014 9.33333
108 4L4V 1VY 0.0115 0.40104 9.33333
109 1C1L GAL BGC 0.01683 0.41677 9.48905
110 4NG2 OHN 0.005469 0.40685 9.73451
111 1ZB6 GST 0.001777 0.4338 10
112 1ZB6 DIN 0.0037 0.41861 10
113 1I06 TZL 0.01337 0.41796 10
114 3NEM ATP 0.009782 0.41591 10
115 2WA4 069 0.01224 0.40715 10
116 3B1Q NOS 0.002379 0.4047 10
117 4IPH 1FJ 0.002131 0.40391 10.5691
118 4OPC PGT 0.02189 0.42979 10.6667
119 1ERB ETR 0.002569 0.42394 11.3333
120 3X01 AMP 0.01867 0.40972 11.3333
121 5U98 1KX 0.01417 0.40575 11.3333
122 4H6B 10Y 0.003252 0.43926 12.6667
123 4H6B 10X 0.004339 0.42863 12.6667
124 1M15 ADP 0.0109 0.40456 12.6667
125 1M15 ARG 0.0109 0.40456 12.6667
126 2XMY CDK 0.01041 0.42764 14
127 3SAO NKN 0.000245 0.42098 14
128 3G08 FEE 0.009314 0.42431 14.1414
129 5H9Q TD2 0.002881 0.45499 14.6667
130 1QFT HSM 0.00004741 0.50937 16
131 5IH9 6BF 0.006805 0.41475 16
132 1BHX ASP PHE GLU GLU ILE 0.0005693 0.4001 20
133 1Q11 TYE 0.009591 0.4254 21.3333
134 2CYB TYR 0.001486 0.47374 22.6667
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