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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 1443 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 1205 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 1039 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: 44
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
9 243 0.5 0.961538
10 ODD 0.5 0.846154
11 T25 0.476923 0.75
12 X90 0.468085 0.84
13 PLM 0.468085 0.84
14 DKA 0.468085 0.84
15 TDA 0.468085 0.84
16 EW8 0.468085 0.84
17 DCR 0.468085 0.84
18 STE 0.468085 0.84
19 F15 0.468085 0.84
20 F23 0.468085 0.84
21 11A 0.468085 0.84
22 KNA 0.468085 0.84
23 DAO 0.468085 0.84
24 MYR 0.468085 0.84
25 LNL 0.465517 0.769231
26 T24 0.454545 0.884615
27 OLB 0.453125 0.705882
28 OLC 0.453125 0.705882
29 MVC 0.453125 0.705882
30 OCA 0.446809 0.84
31 10Y 0.4375 0.6875
32 10X 0.4375 0.6875
33 EAH 0.434783 0.961538
34 SHV 0.425532 0.8
35 ODT 0.423729 0.730769
36 M12 0.423077 0.740741
37 78M 0.415385 0.705882
38 78N 0.415385 0.705882
39 KTC 0.415094 0.884615
40 BNV 0.4 0.807692
41 BMJ 0.4 0.807692
42 HXD 0.4 0.888889
43 FTT 0.4 0.888889
44 D0G 0.4 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CM4; Ligand: RCL; Similar sites found with APoc: 329
This union binding pocket(no: 1) in the query (biounit: 2cm4.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 3M3E GAL A2G NPO None
3 2P7Q GG6 None
4 1OGX EQU None
5 5NLD LBT None
6 5NCF 8T5 None
7 1WW5 SGA BGC None
8 5N0L ILE None
9 2BS5 BGC GAL FUC None
10 2YMZ LAT None
11 4ZSI 4R1 None
12 2E56 MYR None
13 3T2W BTN None
14 3WG3 A2G GAL NAG FUC None
15 2D6M LBT None
16 6FOF LAT None
17 1IS3 LAT None
18 1QKQ MAN None
19 3NV3 GAL NAG MAN None
20 3CM2 X23 None
21 6HDT BTN None
22 3L5R 47X None
23 5FUI APY None
24 4ZSI GLP None
25 3OJI PYV None
26 1NX4 AKG None
27 6BU0 IHP None
28 5EH0 5NW None
29 1J3R 6PG 1.33333
30 3STD MQ0 1.33333
31 2GC0 PAN 1.33333
32 1NWW HPN 1.34228
33 4OJ8 AKG 1.36519
34 4BJ8 BTN 1.5873
35 4PSB GA3 2
36 3NNT DQA 2
37 5FS0 5JC 2
38 1IIU RTL 2
39 4X5S AZM 2
40 4Z28 BTN 2.23881
41 2CDO GAL AAL GAL AAL GAL AAL 2.5
42 5H9P TD2 2.53165
43 4XCB AKG 2.66667
44 1ULE GLA GAL NAG 2.66667
45 4M26 AKG 2.66667
46 3WV6 GAL GLC 2.66667
47 2R5V HHH 2.66667
48 2BQP GLC 2.66667
49 3WV6 GAL BGC 2.66667
50 4XCB HY0 2.66667
51 1OFS SUC 2.66667
52 3B00 16A 2.66667
53 4IMO PWZ 2.84091
54 5AIG VPR 3.2
55 2J5B TYE 3.33333
56 1OFZ FUC 3.33333
57 1DZK PRZ 3.33333
58 4UWJ MYA 3.33333
59 4UWJ 7L5 3.33333
60 1T27 PCW 3.33333
61 2X32 OTP 3.33333
62 2X34 UQ8 3.33333
63 4UBS DIF 3.33333
64 1I82 BGC BGC 3.33333
65 2VEG PMM 3.33333
66 2R0H CTO 3.33333
67 1ODM ASV 3.33333
68 1LES GLC FRU 3.33333
69 3E2M E2M 3.33333
70 4YGF AZM 3.33333
71 4WHZ 3NL 3.33333
72 3MPB FRU 3.33333
73 5JZJ AN2 3.33333
74 3T3Z 9PL 3.33333
75 3AI3 SOL 3.33333
76 5HWV MBN 3.84615
77 5NFB 8VT 3.97727
78 4CSD MFU 4
79 6B9T 2HE 4
80 1QIN GIP 4
81 5W1E PHB 4
82 3A76 SPD 4
83 4LIT AKG 4
84 5X7Q GLC GLC GLC GLC GLC 4
85 5NEA 8V8 4
86 5X7Q GLC GLC GLC GLC 4
87 5X7Q ACR 4
88 4G7A AZM 4
89 2WSA MYA 4
90 2WSA 646 4
91 1F5F DHT 4
92 2E40 LGC 4
93 2AGC DAO 4
94 2CFM AMP 4
95 1U6R ADP 4
96 5FYR INS 4
97 5TV6 PML 4
98 2OMN IPH 4
99 5UR6 8KM 4
100 5C5T AKG 4
101 4U0W 16G 4
102 5U55 S0H 4
103 2FCU AKG 4
104 3UG4 AHR 4
105 4ZU4 4TG 4.05405
106 2A4W BLM 4.34783
107 3WUC GLC GAL 4.37956
108 2NNQ T4B 4.58015
109 4FFG LBS 4.66667
110 1GUI BGC BGC BGC BGC BGC BGC 4.66667
111 4YLZ LAT NAG GAL 4.66667
112 6DZN AE3 4.66667
113 5CJF 520 4.66667
114 5LDQ NAP 4.66667
115 3KDM TES 4.66667
116 6D6L FY4 4.66667
117 1VA6 ADP 4.66667
118 1VA6 P2S 4.66667
119 3HAV ATP 4.66667
120 2GQS C2R 4.66667
121 4FFG 0U8 4.66667
122 6AC9 ANP 4.66667
123 1UZ4 IFL 4.66667
124 2GQS ADP 4.66667
125 1VRP ADP 4.66667
126 5VGS 9A7 4.66667
127 4JX1 CAH 4.66667
128 1GT4 UNA 4.66667
129 1M0W ANP 4.66667
130 5E2N V14 4.66667
131 1LNM DTX 4.66667
132 2GQR ADP 4.66667
133 4YMJ 4EJ 4.66667
134 4WW8 VD9 4.66667
135 5AYI BGC 4.66667
136 4BKS X6C 4.66667
137 1LFO OLA 4.6875
138 2HRL SIA GAL SIA BGC NGA CEQ 4.72441
139 5OO5 UUA 4.83871
140 3GM5 CIT 5.03145
141 1NKI PPF 5.18518
142 3ZO7 K6H 5.31915
143 4OYA 1VE 5.33333
144 3I4X DST 5.33333
145 2YNE NHW 5.33333
146 2YNE YNE 5.33333
147 4QM9 CYS 5.33333
148 1SZ0 M6P 5.33333
149 3PUR 2HG 5.33333
150 2CYC TYR 5.33333
151 4COQ SAN 5.33333
152 1Y42 TYR 5.33333
153 3BXO UPP 5.33333
154 5I0U DCY 5.33333
155 3WKX FUB 5.33333
156 5JSP DQY 5.33333
157 5EYK 5U5 5.33333
158 5OD2 GLC 5.33333
159 3N0Y APC 5.33333
160 5GOO FRU 5.33333
161 3H0L ADP 5.33333
162 5GP0 GPP 5.36913
163 2ZHL NAG GAL GAL NAG 5.40541
164 1OGZ EQU 5.6
165 4JH6 FCN 5.7971
166 6GNO XDI 5.92593
167 5INJ 6C7 6
168 3PFG TLO 6
169 3PFG SAM 6
170 4WOE ADP 6
171 4M00 SUC 6
172 4JGP PYR 6
173 1TT8 PHB 6
174 3LVW GSH 6
175 6HLY G9Z 6
176 6ALW BMJ 6
177 1F52 ADP 6
178 3ZGJ RMN 6
179 2WQN ADP 6
180 5EW9 5VC 6
181 6FE1 V14 6
182 1IA9 ANP 6
183 5KO1 6UY 6
184 3HPY MCT 6
185 1EYE PMM 6
186 3MI3 LYS 6
187 5ML3 DL3 6.04027
188 1FHX 4IP 6.20155
189 1I7A PHE 6.30631
190 2GJ5 VD3 6.66667
191 4YVN EBS 6.66667
192 5LHT TIH 6.66667
193 5KD6 LBU 6.66667
194 3SCH TB6 6.66667
195 2VQ5 HBA 6.66667
196 5T7I LAT NAG GAL 6.66667
197 1ZZ7 S0H 6.66667
198 2HJ4 PNZ 6.66667
199 5KD6 6C7 6.66667
200 4Y24 TD2 6.66667
201 4RD0 GDP 6.66667
202 1F1V DHY 6.66667
203 5TFZ 7BC 6.66667
204 3HMO STU 6.66667
205 2E9L BGC 6.66667
206 2E9L OLA 6.66667
207 2E9L PLM 6.66667
208 5FWJ MMK 6.66667
209 4FHD EEM 6.66667
210 4FHD 0TT 6.66667
211 1SLT NDG GAL 6.71642
212 2F62 12M 6.8323
213 2GOO NDG 6.86275
214 5WL1 CUY 7.07071
215 5WL1 D3D 7.07071
216 2QL9 CIT 7.2165
217 3FW3 ETS 7.33333
218 1Y0G 8PP 7.33333
219 3O2K DST 7.33333
220 5L6G XYP 7.33333
221 1DMY AZM 7.33333
222 1OS7 AKG 7.33333
223 5OES ADP 7.33333
224 5Y72 DST 7.33333
225 4TS1 TYR 7.33333
226 5LRT ADP 7.33333
227 6FU4 HSM 7.33333
228 2IGA XX3 7.33333
229 2VL1 GLY GLY 7.33333
230 3OYW TDG 7.46269
231 3VQ2 LP4 LP5 MYR DAO 7.63889
232 3OCP CMP 7.91367
233 3RGA LSB 8
234 5GLT BGC GAL NAG GAL 8
235 4D1J DGJ 8
236 1OIK AKG 8
237 1OIJ AKG 8
238 5GNX BGC 8
239 1LSH PLD 8
240 1TW4 CHD 8
241 4O9S 2RY 8
242 4CNO 9PY 8
243 4J36 1HR 8
244 5YBL AKG 8
245 5XIO HFG 8
246 5CJ3 52G 8.14815
247 6B9R 2HE 8.66667
248 1XVB BHL 8.66667
249 4D06 NAR 8.66667
250 1SR9 KIV 8.66667
251 4JIE BMA 8.66667
252 1A78 TDG 8.95522
253 4NJS G08 9.09091
254 3A6T 8OG 9.30233
255 5OCG 9R5 9.33333
256 1WUB OTP 9.33333
257 4QCK ASD 9.33333
258 5KJW 53C 9.33333
259 4XDA RIB 9.33333
260 5W0N UPU 9.33333
261 4GN8 ASO 9.33333
262 3KV4 OGA 9.33333
263 3ZXR P3S 9.33333
264 3ZXR IQ1 9.33333
265 4GKY MAN 9.33333
266 4L4V 1VY 9.33333
267 6A63 LAT 9.42029
268 1C1L GAL BGC 9.48905
269 4NG2 OHN 9.73451
270 1ZB6 GST 10
271 3B1Q NOS 10
272 1ZB6 DIN 10
273 1I06 TZL 10
274 3NEM ATP 10
275 2VAR KDG 10
276 2WA4 069 10
277 2AG4 OLA 10
278 4IPH 1FJ 10.5691
279 2QX0 PH2 10.6667
280 4OPC PGT 10.6667
281 2FUE M1P 10.6667
282 2Z3U CRR 10.6667
283 1ERB ETR 11.3333
284 2I6A 5I5 11.3333
285 3X01 AMP 11.3333
286 1CBK ROI 11.3333
287 6FXR AKG 11.3333
288 5U98 1KX 11.3333
289 6FA4 D1W 11.5607
290 2HW1 FRU 12
291 5C8W PCG 12.5874
292 1IND EOT 12.6667
293 4H6B 10Y 12.6667
294 4H6B 10X 12.6667
295 4QDF 30Q 12.6667
296 4H69 10Y 12.6667
297 4QDC ASD 12.6667
298 1M15 ADP 12.6667
299 1M15 ARG 12.6667
300 2FMD MAN MAN 13.3333
301 1KJ1 MAN 13.7615
302 3SAO NKN 14
303 2XMY CDK 14
304 3G08 FEE 14.1414
305 3RUG DB6 14.1414
306 5H9Q TD2 14.6667
307 4D52 GXL 14.6667
308 4D52 GIV 14.6667
309 4CCK OGA 14.6667
310 3WUD GLC GAL 14.7059
311 1QFT HSM 16
312 2F57 23D 16
313 2ABS ACP 16
314 4GCZ FMN 16
315 3ZXE PGZ 16.5414
316 3ZW2 NAG GAL FUC 17.2414
317 3ZW2 GLA NAG GAL FUC 17.2414
318 2ET1 GLV 18
319 4WUP 3UF 18.6667
320 1BHX ASP PHE GLU GLU ILE 20
321 1Q11 TYE 21.3333
322 2CYB TYR 22.6667
323 4MOB ADP 24
324 1H3F TYE 26
325 4M1U A2G MBG 32.8571
326 4DC2 ADE 35.7143
327 2BOS GLA GAL GLC 36.7647
328 2BOS GLA GAL 36.7647
329 4QXB OGA 41.1765
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