Receptor
PDB id Resolution Class Description Source Keywords
3G1D 1.5 Å EC: 4.1.1.23 CRYSTAL STRUCTURE OF OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM C OMPLEXED WITH URIDINE 5'-MONOPHOSPHATE METHANOTHERMOBACTER THERMAUTOTROPHICUSSTR. DELTA H OROTIDINE 5-prime -MONOPHOSPHATE DECARBOXYLASE UMP CRYSTAL STRUCTURE DECARBOXYLASE PYRIMIDINE BIOSYNTHESIS LYASE
Ref.: MECHANISM OF THE OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE-CATALYZED REACTION: EVIDENCE FOR SUBSTRATE DESTABILIZATION. BIOCHEMISTRY V. 48 5518 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
U A:229;
B:229;
 Valid;
Valid;
 none;
none;
 submit data
324.181 C9 H13 N2 O9 P C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LOR 1.6 Å EC: 4.1.1.23 CRYSTAL STRUCTURE OF OROTIDINE 5'-MONOPHOSPHATE COMPLEXED WI METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 145262 TIM BARREL LYASE
Ref.: CRYSTAL STRUCTURES OF INHIBITOR COMPLEXES REVEAL AN ALTERNATE BINDING MODE IN OROTIDINE-5'-MONOPHOSPHAT DECARBOXYLASE. J.BIOL.CHEM. V. 277 28080 2002
Members (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3V1P - BMP C9 H13 N2 O10 P C1=C(N(C(=....
2 3G24 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
3 1LOS Ki = 64 nM UP6 C8 H12 N3 O9 P C1=NN(C(=O....
4 3NQG - BMP C9 H13 N2 O10 P C1=C(N(C(=....
5 3NQD - BMP C9 H13 N2 O10 P C1=C(N(C(=....
6 3LHY - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
7 3LTS - BMP C9 H13 N2 O10 P C1=C(N(C(=....
8 3G1X - U C9 H13 N2 O9 P C1=CN(C(=O....
9 1KM0 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
10 3WJX Ki = 840 nM NUP C9 H14 N3 O9 P C1=C(N(C(=....
11 1LP6 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
12 3LLF - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
13 3G1D - U C9 H13 N2 O9 P C1=CN(C(=O....
14 3LHT - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
15 3NQE - BMP C9 H13 N2 O10 P C1=C(N(C(=....
16 3WK1 - O7E C12 H17 N2 O11 P CCOC(=O)C1....
17 1KM3 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
18 3LV5 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
19 3LHW - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
20 1KM1 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
21 3LV6 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
22 3G1F Ki = 100 uM 2OM C10 H15 N2 O11 P C1[C@@H](N....
23 3M1Z - BMP C9 H13 N2 O10 P C1=C(N(C(=....
24 3W07 Kd = 0.00042 M U5P C9 H13 N2 O9 P C1=CN(C(=O....
25 3PBU - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
26 1LOR Ki = 8.8 pM BMP C9 H13 N2 O10 P C1=C(N(C(=....
27 3NQC - BMP C9 H13 N2 O10 P C1=C(N(C(=....
28 3LHZ - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
29 1KM2 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
30 3PC0 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
31 3WK2 - O7M C11 H15 N2 O11 P COC(=O)C1=....
32 3PBY - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
33 3LI0 - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
34 1KM4 - U C9 H13 N2 O9 P C1=CN(C(=O....
35 3LHU - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
36 3G22 - U C9 H13 N2 O9 P C1=CN(C(=O....
37 2ZZ1 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
38 4GC4 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
39 4FX8 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
40 3LI1 - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
41 1KLY - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
42 3G1V - 5FU C9 H12 F N2 O9 P C1=C(C(=O)....
43 1DVJ Ki = 0.51 mM UP6 C8 H12 N3 O9 P C1=NN(C(=O....
44 3LTY - BMP C9 H13 N2 O10 P C1=C(N(C(=....
45 3WJY - NUP C9 H14 N3 O9 P C1=C(N(C(=....
46 1KM5 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
47 3PBW - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
48 3WK0 - O7M C11 H15 N2 O11 P COC(=O)C1=....
49 2ZZ7 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
50 3NQM - BMP C9 H13 N2 O10 P C1=C(N(C(=....
51 4FX6 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
52 3G1H - H2U C9 H15 N2 O9 P C1CN(C(=O)....
53 4FXR - BMP C9 H13 N2 O10 P C1=C(N(C(=....
54 1KM6 - OMP C10 H13 N2 O11 P C1=C(N(C(=....
55 3LTP - BMP C9 H13 N2 O10 P C1=C(N(C(=....
56 3WJW Ki = 134 uM U6M C10 H15 N2 O9 P CC1=CC(=O)....
57 3LLD - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
58 3NQF - BMP C9 H13 N2 O10 P C1=C(N(C(=....
59 1LOQ Ki = 0.2 mM U C9 H13 N2 O9 P C1=CN(C(=O....
60 3G1A - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
61 3PBV - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
62 3WK3 - O7E C12 H17 N2 O11 P CCOC(=O)C1....
63 3LHV - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
64 1LOL Ki = 0.41 uM XMP C10 H14 N4 O9 P c1[nH+]c2c....
70% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3V1P - BMP C9 H13 N2 O10 P C1=C(N(C(=....
2 3G24 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
3 1LOS Ki = 64 nM UP6 C8 H12 N3 O9 P C1=NN(C(=O....
4 3NQG - BMP C9 H13 N2 O10 P C1=C(N(C(=....
5 3NQD - BMP C9 H13 N2 O10 P C1=C(N(C(=....
6 3LHY - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
7 3LTS - BMP C9 H13 N2 O10 P C1=C(N(C(=....
8 3G1X - U C9 H13 N2 O9 P C1=CN(C(=O....
9 1KM0 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
10 3WJX Ki = 840 nM NUP C9 H14 N3 O9 P C1=C(N(C(=....
11 1LP6 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
12 3LLF - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
13 3G1D - U C9 H13 N2 O9 P C1=CN(C(=O....
14 3LHT - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
15 3NQE - BMP C9 H13 N2 O10 P C1=C(N(C(=....
16 3WK1 - O7E C12 H17 N2 O11 P CCOC(=O)C1....
17 1KM3 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
18 3LV5 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
19 3LHW - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
20 1KM1 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
21 3LV6 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
22 3G1F Ki = 100 uM 2OM C10 H15 N2 O11 P C1[C@@H](N....
23 3M1Z - BMP C9 H13 N2 O10 P C1=C(N(C(=....
24 3W07 Kd = 0.00042 M U5P C9 H13 N2 O9 P C1=CN(C(=O....
25 3PBU - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
26 1LOR Ki = 8.8 pM BMP C9 H13 N2 O10 P C1=C(N(C(=....
27 3NQC - BMP C9 H13 N2 O10 P C1=C(N(C(=....
28 3LHZ - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
29 1KM2 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
30 3PC0 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
31 3WK2 - O7M C11 H15 N2 O11 P COC(=O)C1=....
32 3PBY - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
33 3LI0 - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
34 1KM4 - U C9 H13 N2 O9 P C1=CN(C(=O....
35 3LHU - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
36 3G22 - U C9 H13 N2 O9 P C1=CN(C(=O....
37 2ZZ1 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
38 4GC4 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
39 4FX8 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
40 3LI1 - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
41 1KLY - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
42 3G1V - 5FU C9 H12 F N2 O9 P C1=C(C(=O)....
43 1DVJ Ki = 0.51 mM UP6 C8 H12 N3 O9 P C1=NN(C(=O....
44 3LTY - BMP C9 H13 N2 O10 P C1=C(N(C(=....
45 3WJY - NUP C9 H14 N3 O9 P C1=C(N(C(=....
46 1KM5 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
47 3PBW - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
48 3WK0 - O7M C11 H15 N2 O11 P COC(=O)C1=....
49 2ZZ7 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
50 3NQM - BMP C9 H13 N2 O10 P C1=C(N(C(=....
51 4FX6 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
52 3G1H - H2U C9 H15 N2 O9 P C1CN(C(=O)....
53 4FXR - BMP C9 H13 N2 O10 P C1=C(N(C(=....
54 1KM6 - OMP C10 H13 N2 O11 P C1=C(N(C(=....
55 3LTP - BMP C9 H13 N2 O10 P C1=C(N(C(=....
56 3WJW Ki = 134 uM U6M C10 H15 N2 O9 P CC1=CC(=O)....
57 3LLD - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
58 3NQF - BMP C9 H13 N2 O10 P C1=C(N(C(=....
59 1LOQ Ki = 0.2 mM U C9 H13 N2 O9 P C1=CN(C(=O....
60 3G1A - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
61 3PBV - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
62 3WK3 - O7E C12 H17 N2 O11 P CCOC(=O)C1....
63 3LHV - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
64 1LOL Ki = 0.41 uM XMP C10 H14 N4 O9 P c1[nH+]c2c....
65 2ZZ5 - 6CN C10 H12 N3 O9 P C1=C(N(C(=....
66 1KLZ - U C9 H13 N2 O9 P C1=CN(C(=O....
67 3WJZ - NUP C9 H14 N3 O9 P C1=C(N(C(=....
68 1X1Z Ki = 8.8 pM BMP C9 H13 N2 O10 P C1=C(N(C(=....
69 2ZZ2 - 6CN C10 H12 N3 O9 P C1=C(N(C(=....
50% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3V1P - BMP C9 H13 N2 O10 P C1=C(N(C(=....
2 3G24 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
3 1LOS Ki = 64 nM UP6 C8 H12 N3 O9 P C1=NN(C(=O....
4 3NQG - BMP C9 H13 N2 O10 P C1=C(N(C(=....
5 3NQD - BMP C9 H13 N2 O10 P C1=C(N(C(=....
6 3LHY - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
7 3LTS - BMP C9 H13 N2 O10 P C1=C(N(C(=....
8 3G1X - U C9 H13 N2 O9 P C1=CN(C(=O....
9 1KM0 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
10 3WJX Ki = 840 nM NUP C9 H14 N3 O9 P C1=C(N(C(=....
11 1LP6 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
12 3LLF - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
13 3G1D - U C9 H13 N2 O9 P C1=CN(C(=O....
14 3LHT - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
15 3NQE - BMP C9 H13 N2 O10 P C1=C(N(C(=....
16 3WK1 - O7E C12 H17 N2 O11 P CCOC(=O)C1....
17 1KM3 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
18 3LV5 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
19 3LHW - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
20 1KM1 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
21 3LV6 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
22 3G1F Ki = 100 uM 2OM C10 H15 N2 O11 P C1[C@@H](N....
23 3M1Z - BMP C9 H13 N2 O10 P C1=C(N(C(=....
24 3W07 Kd = 0.00042 M U5P C9 H13 N2 O9 P C1=CN(C(=O....
25 3PBU - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
26 1LOR Ki = 8.8 pM BMP C9 H13 N2 O10 P C1=C(N(C(=....
27 3NQC - BMP C9 H13 N2 O10 P C1=C(N(C(=....
28 3LHZ - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
29 1KM2 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
30 3PC0 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
31 3WK2 - O7M C11 H15 N2 O11 P COC(=O)C1=....
32 3PBY - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
33 3LI0 - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
34 1KM4 - U C9 H13 N2 O9 P C1=CN(C(=O....
35 3LHU - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
36 3G22 - U C9 H13 N2 O9 P C1=CN(C(=O....
37 2ZZ1 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
38 4GC4 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
39 4FX8 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
40 3LI1 - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
41 1KLY - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
42 3G1V - 5FU C9 H12 F N2 O9 P C1=C(C(=O)....
43 1DVJ Ki = 0.51 mM UP6 C8 H12 N3 O9 P C1=NN(C(=O....
44 3LTY - BMP C9 H13 N2 O10 P C1=C(N(C(=....
45 3WJY - NUP C9 H14 N3 O9 P C1=C(N(C(=....
46 1KM5 - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
47 3PBW - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
48 3WK0 - O7M C11 H15 N2 O11 P COC(=O)C1=....
49 2ZZ7 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
50 3NQM - BMP C9 H13 N2 O10 P C1=C(N(C(=....
51 4FX6 - BMP C9 H13 N2 O10 P C1=C(N(C(=....
52 3G1H - H2U C9 H15 N2 O9 P C1CN(C(=O)....
53 4FXR - BMP C9 H13 N2 O10 P C1=C(N(C(=....
54 1KM6 - OMP C10 H13 N2 O11 P C1=C(N(C(=....
55 3LTP - BMP C9 H13 N2 O10 P C1=C(N(C(=....
56 3WJW Ki = 134 uM U6M C10 H15 N2 O9 P CC1=CC(=O)....
57 3LLD - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
58 3NQF - BMP C9 H13 N2 O10 P C1=C(N(C(=....
59 1LOQ Ki = 0.2 mM U C9 H13 N2 O9 P C1=CN(C(=O....
60 3G1A - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
61 3PBV - UP6 C8 H12 N3 O9 P C1=NN(C(=O....
62 3WK3 - O7E C12 H17 N2 O11 P CCOC(=O)C1....
63 3LHV - BMQ C9 H13 N2 O10 P C1C(=O)NC(....
64 1LOL Ki = 0.41 uM XMP C10 H14 N4 O9 P c1[nH+]c2c....
65 2ZZ5 - 6CN C10 H12 N3 O9 P C1=C(N(C(=....
66 1KLZ - U C9 H13 N2 O9 P C1=CN(C(=O....
67 3WJZ - NUP C9 H14 N3 O9 P C1=C(N(C(=....
68 1X1Z Ki = 8.8 pM BMP C9 H13 N2 O10 P C1=C(N(C(=....
69 2ZZ2 - 6CN C10 H12 N3 O9 P C1=C(N(C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: U; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 U5P 1 1
2 U 1 1
3 44P 0.790323 0.941176
4 UDP 0.78125 0.984615
5 UTP 0.746269 0.984615
6 2KH 0.735294 0.955224
7 U5F 0.735294 0.984615
8 UDP UDP 0.727273 0.953846
9 UPU 0.694444 0.954545
10 UNP 0.690141 0.955224
11 660 0.662338 0.913043
12 URM 0.662338 0.913043
13 URI 0.661017 0.848485
14 GDU 0.641026 0.926471
15 UFM 0.641026 0.926471
16 UPG 0.641026 0.926471
17 U2F 0.6375 0.875
18 UPF 0.6375 0.875
19 Y6W 0.632911 0.875
20 UDH 0.628205 0.851351
21 UPP 0.628205 0.926471
22 UFG 0.617284 0.875
23 AWU 0.6125 0.926471
24 CJB 0.603175 0.80597
25 UDX 0.597561 0.926471
26 UDP GAL 0.597561 0.898551
27 UAD 0.597561 0.926471
28 3UC 0.588235 0.875
29 USQ 0.583333 0.807692
30 UGB 0.583333 0.940298
31 UGA 0.583333 0.940298
32 5FU 0.57971 0.927536
33 G3N 0.576471 0.9
34 UGF 0.576471 0.887324
35 U3P 0.573529 0.953846
36 UA3 0.573529 0.953846
37 C 0.571429 0.941176
38 CAR 0.571429 0.941176
39 C5P 0.571429 0.941176
40 UDM 0.568182 0.9
41 5BU 0.56338 0.927536
42 U4S 0.557143 0.763889
43 UD2 0.555556 0.913043
44 UD1 0.555556 0.913043
45 CSQ 0.550562 0.863014
46 CSV 0.550562 0.863014
47 U2S 0.541667 0.777778
48 U3S 0.541667 0.763889
49 CNU 0.540541 0.941176
50 S5P 0.535211 0.901408
51 16B 0.534247 0.901408
52 FZK 0.530864 0.765432
53 U2P 0.528571 0.939394
54 UMP 0.527778 0.911765
55 DU 0.527778 0.911765
56 HP7 0.526882 0.926471
57 UD7 0.526882 0.913043
58 MJZ 0.521277 0.9
59 UP6 0.521127 0.884058
60 F5P 0.515789 0.9
61 12V 0.515789 0.887324
62 UD4 0.515789 0.9
63 F5G 0.515789 0.913043
64 HWU 0.515789 0.887324
65 BMP 0.513889 0.955224
66 UP5 0.510204 0.84
67 DKX 0.507246 0.732394
68 U6M 0.506849 0.969697
69 NUP 0.506849 0.927536
70 LSU 0.505882 0.746988
71 IUG 0.505155 0.797468
72 EPZ 0.5 0.9
73 JW5 0.5 0.955224
74 4TC 0.5 0.818182
75 U1S 0.5 0.76
76 EPU 0.49505 0.887324
77 EEB 0.49505 0.887324
78 UDZ 0.494949 0.84
79 H2U 0.486111 0.911765
80 YSU 0.483516 0.756098
81 6CN 0.480519 0.941176
82 OMP 0.480519 0.969697
83 6AU 0.480519 0.969697
84 TKW 0.48 0.927536
85 UMF 0.479452 0.869565
86 UUA 0.477612 0.757576
87 BMQ 0.472222 0.939394
88 PUP 0.47191 0.926471
89 5HM 0.467532 0.888889
90 O7E 0.463415 0.941176
91 ICR 0.460526 0.830986
92 UMA 0.458716 0.9
93 O7M 0.45679 0.941176
94 UC5 0.455696 0.885714
95 UTP U U U 0.454545 0.909091
96 CDP 0.45 0.927536
97 2TU 0.449275 0.760563
98 FNU 0.441558 0.876712
99 2TM 0.440476 0.888889
100 2QR 0.439655 0.810127
101 DUD 0.4375 0.898551
102 N3E 0.4375 0.743243
103 2OM 0.435897 0.925373
104 U21 0.434783 0.797468
105 U22 0.434783 0.777778
106 U20 0.434783 0.797468
107 HF4 0.433735 0.927536
108 CTP 0.433735 0.927536
109 DUT 0.433735 0.898551
110 8OP 0.428571 0.849315
111 BUP 0.428571 0.914286
112 8GM 0.421687 0.853333
113 5GW 0.420455 0.927536
114 CDP MG 0.414634 0.898551
115 4RA 0.414634 0.842105
116 0RC 0.413793 0.851351
117 DUP 0.411765 0.873239
118 DUN 0.409639 0.873239
119 UD0 0.408 0.831169
120 UM3 0.407895 0.897059
121 UVC 0.407895 0.842857
122 C5G 0.404255 0.875
123 6MZ C U 0.403226 0.775
124 UPA 0.401869 0.828947
125 UAG 0.4 0.851351
Similar Ligands (3D)
Ligand no: 1; Ligand: U; Similar ligands found: 102
No: Ligand Similarity coefficient
1 DCM 0.9889
2 PSU 0.9805
3 DDN 0.9803
4 UMC 0.9773
5 TMP 0.9715
6 UFP 0.9712
7 CH 0.9654
8 FN5 0.9654
9 PFU 0.9630
10 DUS 0.9618
11 DC 0.9577
12 5CM 0.9533
13 5IU 0.9531
14 NYM 0.9523
15 QBT 0.9476
16 FDM 0.9457
17 BRU 0.9445
18 DOC 0.9435
19 AMP 0.9368
20 C2R 0.9313
21 2DT 0.9296
22 D4M 0.9295
23 9L3 0.9280
24 NIA 0.9277
25 IMP 0.9264
26 AMZ 0.9263
27 DI 0.9225
28 D5M 0.9223
29 DA 0.9223
30 AIR 0.9197
31 NCN 0.9195
32 NMN 0.9194
33 FMP 0.9165
34 5HU 0.9156
35 IRP 0.9135
36 T3S 0.9135
37 NEC 0.9116
38 AS 0.9107
39 N5O 0.9106
40 8BR 0.9103
41 GAR 0.9075
42 6MA 0.9030
43 M2T 0.9030
44 5GP 0.8986
45 J7C 0.8981
46 6RE 0.8981
47 MTH 0.8980
48 IRN 0.8972
49 IGP 0.8967
50 5QT 0.8963
51 MTA 0.8959
52 DGP 0.8958
53 CMP 0.8957
54 ATM 0.8944
55 MTM 0.8930
56 5AE 0.8930
57 G 0.8917
58 71V 0.8897
59 XMP 0.8877
60 8OG 0.8874
61 2GE 0.8868
62 103 0.8863
63 7D5 0.8861
64 N8M 0.8860
65 49K 0.8859
66 2T4 0.8854
67 90J 0.8849
68 MTE 0.8847
69 KTK 0.8847
70 3RC 0.8839
71 DRM 0.8837
72 PZB 0.8833
73 6HW 0.8832
74 RP1 0.8824
75 DG 0.8810
76 I5A 0.8810
77 TXS 0.8783
78 CTN 0.8768
79 O8M 0.8763
80 SP1 0.8761
81 DUR 0.8757
82 F01 0.8755
83 JLN 0.8751
84 IWH 0.8750
85 DCZ 0.8746
86 FAI 0.8746
87 TDH 0.8738
88 ML2 0.8704
89 TMC 0.8689
90 S0J 0.8685
91 THM 0.8643
92 S45 0.8637
93 K8W 0.8626
94 1CE 0.8608
95 RVA 0.8608
96 AFP 0.8601
97 6JJ 0.8586
98 4X2 0.8582
99 FDP 0.8581
100 VIB 0.8572
101 9RK 0.8558
102 C5Q 0.8542
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LOR; Ligand: BMP; 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: 1lor.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1LOR; Ligand: BMP; 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: 1lor.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
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