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Receptor
PDB id Resolution Class Description Source Keywords
5CQG 2.3 Å EC: 7.-.-.- STRUCTURE OF TRIBOLIUM TELOMERASE IN COMPLEX WITH THE HIGHLY INHIBITOR BIBR1532 TRIBOLIUM CASTANEUM TELOMERASE REVERSE TRANSCRIPTASE FOLD TERT BIBR15312 TELOMEINHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS OF TELOMERASE INHIBITION BY THE HI SPECIFIC BIBR1532. STRUCTURE V. 23 1934 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
55C A:601;
B:601;
Valid;
Valid;
none;
none;
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331.365 C21 H17 N O3 C/C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CQG 2.3 Å EC: 7.-.-.- STRUCTURE OF TRIBOLIUM TELOMERASE IN COMPLEX WITH THE HIGHLY INHIBITOR BIBR1532 TRIBOLIUM CASTANEUM TELOMERASE REVERSE TRANSCRIPTASE FOLD TERT BIBR15312 TELOMEINHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS OF TELOMERASE INHIBITION BY THE HI SPECIFIC BIBR1532. STRUCTURE V. 23 1934 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5CQG - 55C C21 H17 N O3 C/C(=CC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5CQG - 55C C21 H17 N O3 C/C(=CC(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5CQG - 55C C21 H17 N O3 C/C(=CC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 55C; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 55C 1 1
2 ZZ8 0.428571 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CQG; Ligand: 55C; Similar sites found with APoc: 157
This union binding pocket(no: 1) in the query (biounit: 5cqg.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3T58 FAD 1.15607
2 4D57 ARG AMP 1.22164
3 1C7O PPG 1.25313
4 5WRJ A3P 1.65016
5 5X30 7XF 1.75879
6 5X2Z 3LM 1.75879
7 5X30 4LM 1.75879
8 4IY7 0JO 1.76322
9 4IY7 KOU 1.76322
10 4IYO 0JO 1.76322
11 5UC4 83S 1.81818
12 1M7Y PPG 1.83908
13 5XDT ZI7 1.94805
14 1E5F PLP 1.9802
15 5EXW 7DT 2
16 1VPV PLM 2
17 1GCK ASP PLP 2.01342
18 1GDE GLU PLP 2.05656
19 5XVR TRH 2.08333
20 1U3D FAD 2.1611
21 6C3C EJ1 2.17918
22 2PT9 S4M 2.18069
23 4PIV NDP 2.18121
24 6FX0 E9T 2.20264
25 1NP7 FAD 2.24949
26 4CTA ATP 2.28426
27 5WGD EST 2.29885
28 5WGQ EST 2.29885
29 3UUD EST 2.39044
30 1GNI OLA 2.39316
31 3JRS A8S 2.40385
32 2QE4 JJ3 2.41935
33 5VEQ PMP 2.43309
34 3HB5 E2B 2.44648
35 5WGC AFY 2.52809
36 1DNP FAD 2.54777
37 2BIF BOG 2.55864
38 6D28 NEC 2.5641
39 1PIG AGL GLC HMC AGL GLC BGC 2.62097
40 4HVA 4HV 2.64151
41 5URY PAM 2.73973
42 3WCA FPS 2.73973
43 2X5F PLP 2.7907
44 2J8Z NAP 2.82486
45 6HH6 A3R 2.82486
46 1N83 CLR 2.96296
47 5DLY SAH 3.00752
48 5DLY 5D7 3.00752
49 4ZVV NAD 3.01205
50 4ZVV GN0 3.01205
51 2HW1 ANP 3.02013
52 3LU1 UD2 3.02198
53 5Y79 3PG 3.03951
54 1YRE COA 3.04569
55 1I1D 16G 3.10559
56 1I1D COA 3.10559
57 4S15 4D8 3.125
58 1KPH 10A 3.13589
59 3KFC 61X 3.16206
60 8CGT TM6 3.18792
61 3QLM PLM 3.22581
62 1RKD ADP 3.23625
63 1RKD RIB 3.23625
64 4H6U ACO 3.5
65 4MIB 28M 3.50877
66 2CXG GLC G6D ACI GLC 3.52349
67 3BQD DAY 3.52941
68 5G5W R8C 3.57143
69 1KY8 NAP 3.59281
70 5MN0 A8S 3.6036
71 6FK6 DOK 3.66972
72 3FUR Z12 3.67647
73 3G9E RO7 3.69004
74 1QSR ACO 3.7037
75 2LBD REA 3.74532
76 4DM8 REA 3.74532
77 5DQ8 FLF 3.75
78 3KMZ EQO 3.7594
79 5XXS COA 3.78788
80 3C6K SPD 4.02685
81 3C6K MTA 4.02685
82 2JDC CAO 4.10959
83 2G86 UMP 4.11392
84 4ONA UW1 4.13223
85 4NSQ COA 4.21053
86 2QJY SMA 4.26966
87 6C0B PAM 4.48718
88 2PRG BRL 4.54545
89 4R57 ACO 4.54545
90 3HIW C2X 4.6332
91 3LPF Z77 4.69799
92 5URV NER 4.72973
93 5OHJ 9VE 4.98812
94 4OE4 NAD 5
95 3D78 NBB 5.04202
96 3OU2 SAH 5.04587
97 1G94 DAF GLC DAF GLC GLC 5.13393
98 5HGR 45D 5.23077
99 1QSM ACO 5.26316
100 4DS8 A8S 5.26316
101 4I6G FAD 5.46875
102 5TZ6 7OD 5.51948
103 1GET FAD 5.55556
104 4KOT CE3 5.55556
105 2CNT COA 5.625
106 5XLX SAH 5.67376
107 1XON PIL 5.73066
108 5YU3 NAD 5.81395
109 5YU3 PRO 5.81395
110 2DC1 CIT 5.9322
111 3GWT 066 5.94901
112 1WWZ ACO 6.28931
113 1FM9 570 6.30252
114 1FM9 9CR 6.30252
115 2HOX P1T 6.32318
116 4M8E 29V 6.49351
117 5I60 67W 6.50407
118 1CM0 COA 6.54762
119 3H0A D30 6.57895
120 1UKQ GLC ACI G6D GLC 6.71141
121 3IPQ 965 6.71378
122 1IUP ALQ 6.73759
123 4WUJ FMN 6.80272
124 5TUX ECH 6.81115
125 1BOB ACO 6.875
126 5JPH COA 6.94444
127 2YC5 6BC 7.01754
128 1YUC EPH 7.05882
129 3FXU TSU 7.21311
130 1UBY DMA 7.35695
131 4YV5 SVR 7.37705
132 3KIF GDL 7.54717
133 3WR7 COA 7.64706
134 2C78 PUL 7.65432
135 1EYQ NAR 8.10811
136 5CSM TRP 8.20312
137 2YDW WSH 8.49673
138 3BEO UDP 9.06667
139 2R40 EPH 9.12547
140 4BNU 9KQ 9.29368
141 1XVB 3BR 10
142 5KZV HCD 11.0236
143 5DM1 SAH 11.236
144 1NLI ADE 12.5
145 2VZZ SCA 12.844
146 1UA7 ACI GLD GLC ACI G6D BGC 13.981
147 3DCT 064 17.4468
148 3RUU 37G 17.9039
149 3TWO NDP 18.1034
150 5ZCO PEK 28.7671
151 2DYR PEK 28.7671
152 5Z84 PEK 28.7671
153 2QZO KN1 30.7692
154 2QA8 GEN 30.7692
155 5HYR EST 30.7692
156 4POJ 2VP 30.7692
157 5DXE EST 30.7692
Pocket No.: 2; Query (leader) PDB : 5CQG; Ligand: 55C; Similar sites found with APoc: 87
This union binding pocket(no: 2) in the query (biounit: 5cqg.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4W93 3L9 1.20968
2 4XH4 PPI 1.44231
3 4XH4 ANP 1.44231
4 4XT8 TMQ 1.55039
5 1JV1 UD1 1.58416
6 2YI0 YI0 1.74672
7 3MDV CL6 1.97368
8 4QOM PYG 2.03666
9 3ZOK NAD 2.1164
10 4WAS COO 2.1978
11 1EBL COA 2.2082
12 4EIL FOL 2.29682
13 1V0C ACO 2.47525
14 1V0C KNC 2.47525
15 5G57 6M5 2.5
16 3OKI OKI 2.57511
17 1N4H REA 2.7027
18 6ALW BNV 2.77778
19 1IYK MIM 2.80612
20 2RAB FAD 2.85235
21 5ENZ UDP 2.85714
22 1JXZ BCA 2.97398
23 5N53 8NB 3.07692
24 5TPR NAD 3.18792
25 1S8G DAO 3.30579
26 2W41 ADP 3.35306
27 3LN0 52B 3.57751
28 3MBG FAD 3.59712
29 2P4Y C03 3.61011
30 3RNM FAD 3.63636
31 2VCH UDP 3.75
32 4QC6 30N 3.91061
33 3TDV GDP 3.92157
34 1OQC FAD 4
35 1N1G BCP 4.37158
36 3VRY B43 4.40529
37 1PNO NAP 4.44444
38 5DRB 5FJ 4.46735
39 3KJS NAP 4.60653
40 3KJS DQ1 4.60653
41 4ELG 52I 4.81928
42 2CHG ANP 4.86726
43 4X7R UDP 4.86815
44 4X7R 3YW 4.86815
45 3WGT FAD 4.89914
46 3WGT QSC 4.89914
47 2IU8 PLM 5.08021
48 6BR8 6OU 5.15873
49 2WKW W22 5.18293
50 5KJZ PCG 5.33333
51 1HZP DAO 5.37313
52 3HRD FAD 5.45455
53 4XDA ADP 5.50162
54 5DY5 5GR 5.59211
55 5IF4 6AK 5.66038
56 3QKD HI0 6.07735
57 4ZOH FAD 6.11511
58 2WOX NDP 6.13497
59 1FFU FAD 6.13497
60 5DMZ ADP 6.30137
61 3BEJ MUF 6.30252
62 1MUU GDX 6.42202
63 3U3U EAH 6.43777
64 2Q4V ACO 6.47059
65 2ALG DAO 6.52174
66 1MV8 GDX 6.88073
67 3TE4 ACO 6.97674
68 5LX9 OLB 7.04225
69 1N46 PFA 7.36434
70 3H78 BE2 7.79944
71 4FC7 NAP 8.30325
72 4FC7 COA 8.30325
73 5LI1 ANP 8.47458
74 4LA7 A1O 8.80829
75 4LS7 1X9 8.92019
76 1G2N EPH 9.09091
77 1Q7B NAP 9.42623
78 5O1I 9GH 10.0457
79 5IXK 6EW 10.5263
80 1UVC STE 12.0879
81 1YKI NFZ 12.4424
82 2VBQ BSJ 13.3333
83 1A8S PPI 15.0183
84 3CXH SMA 17.1233
85 5LWY OLB 18.6916
86 1N62 FAD 20.4861
87 5TWO 7MV 33.3333
Pocket No.: 3; Query (leader) PDB : 5CQG; Ligand: 55C; 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: 5cqg.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5CQG; Ligand: 55C; 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: 5cqg.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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