Receptor
PDB id Resolution Class Description Source Keywords
1B6T 1.8 Å EC: 2.7.7.3 PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE IN COMPLEX WITH 3'- DEPHOSPHO-COA FROM ESCHERICHIA COLI ESCHERICHIA COLI COENZYME A BIOSYNTHESIS TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF A NOVEL BACTERIAL ADENYLYLTRANSFERASE REVEALS HALF OF SITES REACTIVITY. EMBO J. V. 18 2021 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COD B:3000;
Valid;
none;
submit data
687.554 C21 H35 N7 O13 P2 S CC(C)...
SO4 A:502;
B:501;
B:503;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CHP 1.94 Å EC: 2.7.7.3 PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (COAD) IN COMPLEX WIT (R)-4-(3-(2-CYANO-1-((5-METHYL-1H-IMIDAZO[4,5-B]PYRIDIN-2-YE THYL)BENZYL)PIPERIDINE-1-CARBOXYLATE ESCHERICHIA COLI (STRAIN K12) DEPHOSPHO-COA PYROPHOSPHORYLASE PANTETHEINE-PHOSPHATE ADENYLYLTRANSFERASE PPAT CAAD FBDD GRAM-NEGATI PANTETHEINEPHOSPHATE ADENYLYLTRANSFERASEVE ANTIBACTERIAL ANTIBIOTIC TRANSFERASE TRANSFERASE-ANTIBIOTIC COMPLEX TRANSFERASE-ANTCOMPLEX
Ref.: DISCOVERY AND OPTIMIZATION OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE INHIBITORS WITH GRAM-NEGATIVE ANTIBACTERIAL ACTIVITY. J. MED. CHEM. V. 61 3325 2018
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 30 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D Kd = 52 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E Kd = 28 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
70% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 30 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D Kd = 52 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E Kd = 28 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
24 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
25 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
26 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
27 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
29 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
30 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 30 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D Kd = 52 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E Kd = 28 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
24 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
25 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
28 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
29 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
30 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
31 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
32 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
33 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
34 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
35 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
36 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
37 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
38 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
39 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
41 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
42 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
43 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
45 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
46 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
47 1VLH - PNS C11 H23 N2 O7 P S CC(C)(COP(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: COD; Similar ligands found: 381
No: Ligand ECFP6 Tc MDL keys Tc
1 COD 1 1
2 COA 0.810345 0.988235
3 0T1 0.721311 0.965116
4 DCA 0.719008 0.942529
5 COS 0.717742 0.965517
6 ETB 0.704918 0.909091
7 CAO 0.704 0.954545
8 30N 0.704 0.903226
9 AMX 0.704 0.976471
10 SCO 0.698413 0.965116
11 CMX 0.698413 0.965116
12 ACO 0.692913 0.954545
13 FCX 0.692913 0.932584
14 FAM 0.692913 0.943182
15 HAX 0.6875 0.943182
16 7L1 0.685039 0.954545
17 FYN 0.682171 0.988235
18 3KK 0.682171 0.965517
19 2MC 0.679389 0.923077
20 MCD 0.676923 0.943182
21 SOP 0.676923 0.965517
22 COK 0.676923 0.965517
23 YZS 0.676923 0.875
24 KGP 0.676923 0.875
25 OXK 0.676923 0.965517
26 CA6 0.676923 0.875
27 COA FLC 0.674603 0.976471
28 CMC 0.671756 0.965517
29 CO6 0.671756 0.965517
30 1VU 0.671756 0.954545
31 NMX 0.671756 0.892473
32 CAJ 0.666667 0.943182
33 SCD 0.666667 0.965116
34 2CP 0.664179 0.954545
35 A1S 0.661654 0.965517
36 MLC 0.661654 0.965517
37 IVC 0.661654 0.976744
38 1HE 0.661654 0.94382
39 BCO 0.661654 0.965517
40 KGJ 0.661654 0.882979
41 3HC 0.661654 0.976744
42 KGA 0.659259 0.873684
43 SO5 0.656716 0.865979
44 MCA 0.656716 0.954545
45 LCV 0.656716 0.865979
46 CAA 0.656716 0.976744
47 YE1 0.656716 0.954023
48 COO 0.656716 0.965517
49 YXR 0.651852 0.875
50 YXS 0.651852 0.875
51 MC4 0.651852 0.913043
52 SCA 0.651852 0.965517
53 CA8 0.647059 0.875
54 3CP 0.647059 0.965517
55 IRC 0.647059 0.976744
56 BYC 0.647059 0.965517
57 KFV 0.647059 0.884211
58 COW 0.647059 0.954545
59 2KQ 0.647059 0.94382
60 COF 0.647059 0.94382
61 HGG 0.647059 0.965517
62 1GZ 0.647059 0.954545
63 CO7 0.644444 0.965517
64 FAQ 0.642336 0.965517
65 4CA 0.642336 0.954545
66 BCA 0.642336 0.954545
67 1CZ 0.640288 0.954545
68 1CV 0.638298 0.965517
69 GRA 0.637681 0.965517
70 HXC 0.637681 0.94382
71 TGC 0.633094 0.954545
72 S0N 0.628571 0.943182
73 2NE 0.628571 0.94382
74 CIC 0.628571 0.965517
75 CO8 0.628571 0.94382
76 MYA 0.624114 0.94382
77 5F9 0.624114 0.94382
78 DCC 0.624114 0.94382
79 0FQ 0.624114 0.965517
80 4CO 0.624114 0.954545
81 MFK 0.624114 0.94382
82 UCC 0.624114 0.94382
83 ST9 0.624114 0.94382
84 0ET 0.619718 0.94382
85 01A 0.619718 0.923077
86 WCA 0.615385 0.94382
87 CS8 0.615385 0.933333
88 J5H 0.613793 0.965517
89 4KX 0.611111 0.933333
90 NHW 0.611111 0.94382
91 UOQ 0.611111 0.94382
92 HDC 0.611111 0.94382
93 NHM 0.611111 0.94382
94 A2D 0.607843 0.811765
95 MRS 0.606897 0.94382
96 MRR 0.606897 0.94382
97 HFQ 0.606897 0.94382
98 YNC 0.60274 0.954545
99 DAK 0.60274 0.933333
100 8Z2 0.598639 0.933333
101 PTJ 0.594828 0.860465
102 NHQ 0.590604 0.976744
103 COT 0.585526 0.965517
104 F8G 0.585526 0.903226
105 1HA 0.582781 0.94382
106 BA3 0.580952 0.811765
107 01K 0.578947 0.965517
108 AGS 0.577982 0.795455
109 CA3 0.577922 0.965517
110 8LE 0.576577 0.858824
111 B4P 0.575472 0.811765
112 AP5 0.575472 0.811765
113 ADP 0.575472 0.811765
114 PAJ 0.573913 0.894118
115 AN2 0.570093 0.802326
116 AT4 0.570093 0.804598
117 RMW 0.56962 0.94382
118 APR 0.568807 0.811765
119 AR6 0.568807 0.811765
120 M33 0.564815 0.823529
121 OAD 0.564103 0.835294
122 CCQ 0.561644 0.923077
123 CA5 0.559748 0.923077
124 HEJ 0.559633 0.811765
125 ATP 0.559633 0.811765
126 JNT 0.555556 0.857143
127 JBT 0.554913 0.884211
128 3OD 0.554622 0.835294
129 AQP 0.554545 0.811765
130 5FA 0.554545 0.811765
131 BUA COA 0.552448 0.954023
132 9X8 0.550847 0.816092
133 CA0 0.550459 0.813953
134 AD9 0.54955 0.793103
135 5AL 0.548673 0.823529
136 HQG 0.547826 0.802326
137 UCA 0.546584 0.94382
138 93P 0.546584 0.954545
139 ACP 0.545455 0.813953
140 KG4 0.545455 0.813953
141 ATF 0.54386 0.784091
142 8LQ 0.543103 0.847059
143 QA7 0.543103 0.858824
144 A22 0.543103 0.802326
145 ANP 0.539823 0.793103
146 8LH 0.53913 0.847059
147 SRP 0.53913 0.847059
148 8QN 0.538462 0.823529
149 48N 0.535433 0.818182
150 A1R 0.533898 0.892857
151 6NA COA 0.533784 0.932584
152 OXT 0.532164 0.903226
153 HMG 0.530201 0.954023
154 93M 0.53012 0.954545
155 AHX 0.529412 0.83908
156 TXA 0.528926 0.825581
157 PRX 0.526786 0.835294
158 ACQ 0.526316 0.813953
159 X90 COA 0.523179 0.932584
160 DCR COA 0.523179 0.932584
161 DKA COA 0.523179 0.932584
162 MYR COA 0.523179 0.932584
163 DAO COA 0.523179 0.932584
164 EO3 COA 0.523179 0.932584
165 PLM COA 0.523179 0.932584
166 YLB 0.523077 0.918605
167 ADX 0.522523 0.76087
168 A3R 0.521008 0.892857
169 4AD 0.521008 0.837209
170 ADQ 0.521008 0.813953
171 N9V 0.52 0.911111
172 AMP 0.518868 0.788235
173 A 0.518868 0.788235
174 45A 0.518519 0.790698
175 ABM 0.518519 0.790698
176 50T 0.517857 0.781609
177 BIS 0.516393 0.806818
178 1ZZ 0.516393 0.852273
179 NB8 0.516393 0.818182
180 KMQ 0.516129 0.804598
181 OMR 0.515385 0.863636
182 F2R 0.514925 0.853933
183 6YZ 0.512821 0.813953
184 25L 0.512195 0.802326
185 YLP 0.511628 0.896552
186 AMO 0.508333 0.847059
187 WAQ 0.508197 0.870588
188 DAL AMP 0.504202 0.802326
189 DLL 0.504132 0.802326
190 00A 0.504132 0.766667
191 FYA 0.504065 0.823529
192 ME8 0.504065 0.852273
193 BSJ 0.50289 0.933333
194 9ZD 0.5 0.806818
195 T99 0.5 0.804598
196 AFH 0.5 0.788889
197 SRA 0.5 0.772727
198 AMP MG 0.5 0.776471
199 XAH 0.5 0.873563
200 5TW 0.5 0.903226
201 4BN 0.5 0.903226
202 OOB 0.5 0.802326
203 9ZA 0.5 0.806818
204 25A 0.5 0.790698
205 TAT 0.5 0.804598
206 6V0 0.496183 0.797753
207 TXD 0.496183 0.827586
208 NAI 0.496183 0.786517
209 DQV 0.496124 0.823529
210 LAD 0.495935 0.894118
211 V2G 0.495726 0.83908
212 AU1 0.495575 0.793103
213 A12 0.495495 0.825581
214 AP2 0.495495 0.825581
215 TXE 0.492424 0.827586
216 LAQ 0.492308 0.831461
217 B5Y 0.492063 0.795455
218 ASP ASP ASP ILE NH2 CMC 0.490909 0.943182
219 4PS 0.490566 0.670588
220 L3W 0.488722 0.804598
221 YLC 0.488722 0.895349
222 AP0 0.488722 0.777778
223 3UK 0.487805 0.793103
224 5SV 0.487603 0.83908
225 GAP 0.487179 0.813953
226 APC 0.486957 0.825581
227 ADP BEF 0.486726 0.788235
228 SON 0.486726 0.825581
229 ADP MG 0.486726 0.788235
230 CNA 0.485294 0.825581
231 NAX 0.484848 0.820225
232 DND 0.484848 0.804598
233 GTA 0.484615 0.771739
234 4UV 0.484375 0.775281
235 PR8 0.483871 0.905882
236 B5V 0.483871 0.784091
237 52H 0.483333 0.776596
238 FA5 0.480315 0.825581
239 B5M 0.480315 0.795455
240 ADJ 0.477941 0.822222
241 ARG AMP 0.476923 0.822222
242 GA7 0.476923 0.847059
243 OZV 0.47541 0.811765
244 BT5 0.47482 0.844444
245 AYB 0.474453 0.908046
246 9SN 0.472441 0.758242
247 YLY 0.471831 0.908046
248 80F 0.471429 0.793478
249 IOT 0.470588 0.865169
250 ADP PO3 0.470085 0.788235
251 APC MG 0.470085 0.790698
252 RBY 0.470085 0.825581
253 ATP MG 0.470085 0.788235
254 ADV 0.470085 0.825581
255 G3A 0.469231 0.777778
256 MAP 0.467213 0.775281
257 TSB 0.467213 0.755319
258 YLA 0.467153 0.875
259 ANP MG 0.466667 0.781609
260 7MC 0.466667 0.896552
261 FB0 0.466667 0.9
262 ALF ADP 0.466667 0.736264
263 BEF ADP 0.466102 0.770115
264 G5P 0.465649 0.777778
265 7MD 0.465649 0.895349
266 MYR AMP 0.464567 0.831461
267 4UW 0.462687 0.769231
268 TYM 0.459259 0.825581
269 5AD NJS 0.457831 0.902174
270 5CA 0.455285 0.776596
271 53H 0.455285 0.776596
272 NAQ 0.455172 0.797753
273 VO4 ADP 0.454545 0.772727
274 A5A 0.454545 0.744681
275 4UU 0.454545 0.775281
276 ADP BMA 0.452381 0.793103
277 UP5 0.451852 0.795455
278 A3D 0.450704 0.813953
279 54H 0.447154 0.765957
280 VMS 0.447154 0.765957
281 A2R 0.447154 0.802326
282 T5A 0.446043 0.833333
283 PAP 0.445378 0.8
284 ATR 0.445378 0.788235
285 JB6 0.445312 0.827586
286 LPA AMP 0.444444 0.811111
287 NVA LMS 0.444444 0.770833
288 A4P 0.442029 0.776596
289 ACE SER ASP ALY THR NH2 COA 0.441989 0.943182
290 G5A 0.441667 0.776596
291 LEU LMS 0.440945 0.768421
292 5AS 0.439655 0.757895
293 AMP DBH 0.439394 0.752809
294 SSA 0.439024 0.776596
295 MET VAL ASN ALA CMC 0.438889 0.943182
296 NAE 0.438356 0.816092
297 ALF ADP 3PG 0.437956 0.75
298 LMS 0.4375 0.723404
299 GSU 0.4375 0.757895
300 2A5 0.436975 0.835294
301 BTX 0.43662 0.853933
302 NAD 0.43662 0.802326
303 LSS 0.436508 0.797872
304 NSS 0.436508 0.757895
305 EAD 0.436242 0.8
306 139 0.435714 0.840909
307 SFC 0.435583 0.94382
308 RFC 0.435583 0.94382
309 4TC 0.434783 0.797753
310 NDE 0.434211 0.784091
311 A4D 0.433962 0.72619
312 N0B 0.432432 0.875
313 ZID 0.432432 0.793103
314 PNS 0.429907 0.670588
315 AOC 0.429825 0.689655
316 NA7 0.429688 0.847059
317 D4F 0.428571 0.771739
318 AF3 ADP 3PG 0.427536 0.75
319 AHZ 0.426471 0.771739
320 J4G 0.426357 0.837209
321 DSZ 0.425197 0.757895
322 P1H 0.424837 0.822222
323 UPA 0.42446 0.806818
324 ATP A 0.424242 0.77907
325 ATP A A A 0.424242 0.77907
326 SFD 0.424051 0.752475
327 FDA 0.423077 0.806452
328 6AD 0.422764 0.788889
329 7D3 0.422414 0.781609
330 FNK 0.42236 0.83871
331 62F 0.42236 0.852273
332 6RE 0.421053 0.719101
333 YSA 0.421053 0.739583
334 6FA 0.420382 0.833333
335 7D4 0.420168 0.781609
336 ITT 0.420168 0.767442
337 NJP 0.41958 0.795455
338 P5F 0.419162 0.797872
339 TAD 0.419118 0.829545
340 XYA 0.419048 0.72619
341 RAB 0.419048 0.72619
342 ADN 0.419048 0.72619
343 M2T 0.418182 0.715909
344 H1Q 0.416667 0.758621
345 0WD 0.416667 0.777778
346 9JJ 0.415663 0.752688
347 KAA 0.415385 0.808511
348 FAD 0.415094 0.842697
349 FAS 0.415094 0.842697
350 F2N 0.414201 0.827957
351 DZD 0.413793 0.850575
352 J7C 0.413793 0.727273
353 NO7 0.412698 0.804598
354 M24 0.412162 0.741935
355 AR6 AR6 0.411765 0.770115
356 ARU 0.410853 0.769231
357 NDC 0.410256 0.83908
358 ODP 0.409722 0.769231
359 8X1 0.409449 0.770833
360 ACE MET LEU GLY PRO NH2 COA 0.409326 0.943182
361 EP4 0.409091 0.732558
362 RFL 0.408537 0.835165
363 5CD 0.407407 0.674419
364 3DH 0.40708 0.689655
365 AMP NAD 0.406897 0.781609
366 A3P 0.40678 0.788235
367 HFD 0.406504 0.775281
368 JSQ 0.406504 0.775281
369 AVV 0.40625 0.818182
370 NDP 0.405594 0.777778
371 A3G 0.405172 0.77381
372 A3T 0.404959 0.75
373 P5A 0.40458 0.819149
374 NAD IBO 0.404255 0.790698
375 NAD TDB 0.404255 0.790698
376 8PZ 0.402985 0.757895
377 TXP 0.402778 0.818182
378 FAY 0.402439 0.831461
379 9K8 0.401515 0.666667
380 BV8 0.40107 0.891304
381 PPS 0.4 0.741935
Similar Ligands (3D)
Ligand no: 1; Ligand: COD; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CHP; Ligand: F0Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6chp.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6CHP; Ligand: F0Y; 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: 6chp.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6CHP; Ligand: F0Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6chp.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6CHP; Ligand: F0Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6chp.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6CHP; Ligand: F0Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6chp.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6CHP; Ligand: F0Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6chp.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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