Receptor
PDB id Resolution Class Description Source Keywords
3N1V 2.18 Å EC: 2.5.1.10 HUMAN FPPS COMPLEX WITH FBS_01 HOMO SAPIENS BISPHOSPHONATE; FRAGMENT-BASED SCREENING; TRANSFERASE; ISOPRBIOSYNTHESIS; CHOLESTEROL BIOSYNTHESIS TRANSFERASE TRANSFTRANSFERASE INHIBITOR COMPLEX
Ref.: ALLOSTERIC NON-BISPHOSPHONATE FPPS INHIBITORS IDENT FRAGMENT-BASED DISCOVERY. NAT.CHEM.BIOL. V. 6 660 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3N1 F:1;
F:354;
 Valid;
Valid;
 none;
none;
 ic50 > 500 uM
240.706 C11 H9 Cl O2 S Cc1c2...
PO4 F:355;
 Valid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LPG 2.35 Å EC: 2.5.1.10 CRYSTAL STRUCTURE OF HUMAN FPPS IN COMPLEX WITH CL01131 HOMO SAPIENS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: MULTISTAGE SCREENING REVEALS CHAMELEON LIGANDS OF T FARNESYL PYROPHOSPHATE SYNTHASE: IMPLICATIONS TO DR DISCOVERY FOR NEURODEGENERATIVE DISEASES. J.MED.CHEM. V. 57 5764 2014
Members (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1ZW5 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
2 1YV5 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
3 6N7Y ic50 = 7.7 uM KFA C21 H20 N3 O3 P S Cc1ccc(cc1....
4 4QXS ic50 = 1.1 uM WC1 C21 H27 N O6 P2 C[C@H](c1c....
5 4P0V - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
6 2F92 - AHD C4 H9 N O7 P2 C(CC(O)(P(....
7 5JUZ ic50 = 3 uM YL4 C22 H20 N3 O4 P S Cc1ccc(cc1....
8 4RXA ic50 = 1.8 uM 3F2 C32 H28 N6 O2 c1cc(cc(c1....
9 3N49 ic50 = 7 uM 3N4 C14 H10 O2 S c1ccc2c(c1....
10 5JV2 ic50 ~ 100 uM 6O3 C14 H13 N2 O3 P S Cc1ccc(cc1....
11 3N5J ic50 = 6 uM GO1 C11 H7 Cl2 N O4 c1c(cc(c2c....
12 2F9K - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
13 3N45 - PO4 O4 P [O-]P(=O)(....
14 4LPH Kd = 9.2 uM YL3 C14 H14 N3 O3 P S Cc1ccc(cc1....
15 5JV1 ic50 = 0.86 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
16 4LFV - YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
17 4LPG Kd = 55.6 uM 1MV C14 H15 N3 O6 P2 S Cc1ccc(cc1....
18 2F94 - BFQ C9 H23 N O7 P2 CCCCC[N@](....
19 3N6K Kd = 180 nM BFH C15 H11 N O4 c1ccc2c(c1....
20 6OAH ic50 = 1.5 uM M2V C21 H19 Cl N3 O3 P S Cc1ccc(cc1....
21 5JV0 ic50 = 1.1 uM YL5 C21 H19 F N3 O3 P S Cc1ccc(cc1....
22 4H5E Kd = 0.86 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
23 3N5H ic50 = 2 uM GO0 C11 H7 Cl2 N O4 c1cc(c2c(c....
24 6OAG ic50 = 3.7 uM M2Y C21 H19 Cl N3 O3 P S Cc1ccc(cc1....
25 4H5D Kd = 0.58 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
26 2F8C - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
27 4P0W - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
28 3N46 - PO4 O4 P [O-]P(=O)(....
29 4P0X - 1WO C20 H26 O3 CC(C)C1=CC....
30 6N83 ic50 = 0.54 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
31 4H5C - PO4 O4 P [O-]P(=O)(....
32 5DGN ic50 = 1.2 uM 59Y C20 H13 N O2 c1ccc2c(c1....
33 4DEM ic50 = 28 nM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
34 6N82 ic50 = 1.1 uM YF7 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
35 3N1V ic50 > 500 uM 3N1 C11 H9 Cl O2 S Cc1c2cc(cc....
36 2OPM - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
37 5JA0 Kd = 5.3 uM FPP C15 H28 O7 P2 CC(=CCC/C(....
38 1YQ7 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
70% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1ZW5 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
2 1YV5 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
3 6N7Y ic50 = 7.7 uM KFA C21 H20 N3 O3 P S Cc1ccc(cc1....
4 4QXS ic50 = 1.1 uM WC1 C21 H27 N O6 P2 C[C@H](c1c....
5 4P0V - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
6 2F92 - AHD C4 H9 N O7 P2 C(CC(O)(P(....
7 5JUZ ic50 = 3 uM YL4 C22 H20 N3 O4 P S Cc1ccc(cc1....
8 4RXA ic50 = 1.8 uM 3F2 C32 H28 N6 O2 c1cc(cc(c1....
9 3N49 ic50 = 7 uM 3N4 C14 H10 O2 S c1ccc2c(c1....
10 5JV2 ic50 ~ 100 uM 6O3 C14 H13 N2 O3 P S Cc1ccc(cc1....
11 3N5J ic50 = 6 uM GO1 C11 H7 Cl2 N O4 c1c(cc(c2c....
12 2F9K - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
13 3N45 - PO4 O4 P [O-]P(=O)(....
14 4LPH Kd = 9.2 uM YL3 C14 H14 N3 O3 P S Cc1ccc(cc1....
15 5JV1 ic50 = 0.86 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
16 4LFV - YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
17 4LPG Kd = 55.6 uM 1MV C14 H15 N3 O6 P2 S Cc1ccc(cc1....
18 2F94 - BFQ C9 H23 N O7 P2 CCCCC[N@](....
19 3N6K Kd = 180 nM BFH C15 H11 N O4 c1ccc2c(c1....
20 6OAH ic50 = 1.5 uM M2V C21 H19 Cl N3 O3 P S Cc1ccc(cc1....
21 5JV0 ic50 = 1.1 uM YL5 C21 H19 F N3 O3 P S Cc1ccc(cc1....
22 4H5E Kd = 0.86 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
23 3N5H ic50 = 2 uM GO0 C11 H7 Cl2 N O4 c1cc(c2c(c....
24 6OAG ic50 = 3.7 uM M2Y C21 H19 Cl N3 O3 P S Cc1ccc(cc1....
25 4H5D Kd = 0.58 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
26 2F8C - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
27 4P0W - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
28 3N46 - PO4 O4 P [O-]P(=O)(....
29 4P0X - 1WO C20 H26 O3 CC(C)C1=CC....
30 6N83 ic50 = 0.54 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
31 4H5C - PO4 O4 P [O-]P(=O)(....
32 5DGN ic50 = 1.2 uM 59Y C20 H13 N O2 c1ccc2c(c1....
33 4DEM ic50 = 28 nM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
34 6N82 ic50 = 1.1 uM YF7 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
35 3N1V ic50 > 500 uM 3N1 C11 H9 Cl O2 S Cc1c2cc(cc....
36 2OPM - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
37 5JA0 Kd = 5.3 uM FPP C15 H28 O7 P2 CC(=CCC/C(....
38 1YQ7 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
39 1UBY - DMA C5 H12 O7 P2 CC(=CCO[P@....
40 1UBX - FPP C15 H28 O7 P2 CC(=CCC/C(....
41 1UBW - GPP C10 H20 O7 P2 CC(=CCC/C(....
50% Homology Family (65)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ZW5 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
2 1YV5 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
3 4RXA ic50 = 1.8 uM 3F2 C32 H28 N6 O2 c1cc(cc(c1....
4 3N49 ic50 = 7 uM 3N4 C14 H10 O2 S c1ccc2c(c1....
5 5JV2 ic50 ~ 100 uM 6O3 C14 H13 N2 O3 P S Cc1ccc(cc1....
6 3N5J ic50 = 6 uM GO1 C11 H7 Cl2 N O4 c1c(cc(c2c....
7 2F9K - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
8 3N45 - PO4 O4 P [O-]P(=O)(....
9 4LPH Kd = 9.2 uM YL3 C14 H14 N3 O3 P S Cc1ccc(cc1....
10 5JV1 ic50 = 0.86 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
11 4LFV - YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
12 4LPG Kd = 55.6 uM 1MV C14 H15 N3 O6 P2 S Cc1ccc(cc1....
13 2F94 - BFQ C9 H23 N O7 P2 CCCCC[N@](....
14 3N6K Kd = 180 nM BFH C15 H11 N O4 c1ccc2c(c1....
15 6OAH ic50 = 1.5 uM M2V C21 H19 Cl N3 O3 P S Cc1ccc(cc1....
16 5JV0 ic50 = 1.1 uM YL5 C21 H19 F N3 O3 P S Cc1ccc(cc1....
17 4H5E Kd = 0.86 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
18 3N5H ic50 = 2 uM GO0 C11 H7 Cl2 N O4 c1cc(c2c(c....
19 6OAG ic50 = 3.7 uM M2Y C21 H19 Cl N3 O3 P S Cc1ccc(cc1....
20 4H5D Kd = 0.58 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
21 2F8C - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
22 4P0W - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
23 3N46 - PO4 O4 P [O-]P(=O)(....
24 4P0X - 1WO C20 H26 O3 CC(C)C1=CC....
25 6N83 ic50 = 0.54 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
26 4H5C - PO4 O4 P [O-]P(=O)(....
27 5DGN ic50 = 1.2 uM 59Y C20 H13 N O2 c1ccc2c(c1....
28 4DEM ic50 = 28 nM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
29 6N82 ic50 = 1.1 uM YF7 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
30 3N1V ic50 > 500 uM 3N1 C11 H9 Cl O2 S Cc1c2cc(cc....
31 2OPM - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
32 5JA0 Kd = 5.3 uM FPP C15 H28 O7 P2 CC(=CCC/C(....
33 1YQ7 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
34 6B07 - C6M C10 H18 N O6 P2 CCC[N]1=C(....
35 6B04 - C6J C8 H14 N O6 P2 C[N]1=C(C=....
36 2Q58 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
37 3LDW Ki = 10.7 nM ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
38 3PH7 - GRG C20 H36 O7 P2 CC(=CCC/C(....
39 5HN7 ic50 = 120 uM 04M C26 H35 N O7 S CCCCCCCCOc....
40 5HN9 ic50 = 50 uM 04W C24 H31 N O6 CCCCCCCCCC....
41 6WW1 - 476 C11 H20 N O6 P2 CCCCc1ccc[....
42 4K10 Kd = 119.5 nM NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
43 1UBY - DMA C5 H12 O7 P2 CC(=CCO[P@....
44 1UBX - FPP C15 H28 O7 P2 CC(=CCC/C(....
45 1UBW - GPP C10 H20 O7 P2 CC(=CCC/C(....
46 4RXE ic50 = 230 nM 3YQ C7 H12 N2 O6 P2 Cc1cccnc1N....
47 2EWG - M0N C9 H12 N2 O7 P2 c1ccn2c(c1....
48 5AFX ic50 = 1.2 uM PVZ C14 H29 N2 O7 P2 CCCCCCCCCn....
49 3DYH - 721 C11 H20 N O7 P2 CCCCOc1ccc....
50 2I19 - 1BY C7 H12 N2 O6 P2 c1ccnc(c1)....
51 3EGT Ki = 1.26 nM 722 C14 H26 N O7 P2 CCCCCCCOc1....
52 3EFQ - 714 C15 H28 N O7 P2 CCCCCCCCOc....
53 4RXD ic50 = 300 nM RIS C7 H11 N O7 P2 c1cc(cnc1)....
54 4RXC ic50 ~ 33 uM HRX C8 H13 N O7 P2 c1cc(cnc1)....
55 3DYG - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
56 2P1C Ki = 21 nM GG3 C14 H25 N O7 P2 C[N@](CCCC....
57 4DXJ ic50 = 38 nM 0M9 C5 H15 N O6 P2 CCCNCC(P(=....
58 3ICN - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
59 3ICK - M0N C9 H12 N2 O7 P2 c1ccn2c(c1....
60 4DWB ic50 = 1840 nM 0M7 C7 H19 N O6 P2 CCCCCNCC(P....
61 4DWG ic50 = 58 nM 0M8 C9 H23 N O6 P2 CCCCCCCNCC....
62 3ICM - P2H C13 H16 N O7 P2 c1ccc(cc1)....
63 3ICZ - PB6 C11 H18 N O6 P2 CC/C=C/c1c....
64 1YHL - RIS C7 H11 N O7 P2 c1cc(cnc1)....
65 3IBA - SO4 O4 S [O-]S(=O)(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3N1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3N1 1 1
Ligand no: 2; Ligand: PO4; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PO4 1 1
2 PI 0.555556 0.823529
3 2HP 0.555556 0.736842
4 FPO 0.555556 0.736842
5 DPO 0.454545 0.833333
6 MMQ 0.416667 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: 3N1; Similar ligands found: 294
No: Ligand Similarity coefficient
1 EAE 0.9477
2 0J5 0.9333
3 0J4 0.9297
4 NPX 0.9296
5 ARP 0.9279
6 HBI 0.9254
7 4AB 0.9218
8 H2B 0.9213
9 BIO 0.9210
10 EYV 0.9205
11 EYY 0.9202
12 7AP 0.9199
13 ST2 0.9190
14 GNR 0.9165
15 SYE 0.9164
16 EUH 0.9163
17 S8A 0.9158
18 AAN 0.9153
19 3XR 0.9149
20 8Y7 0.9140
21 H4B 0.9137
22 K7H 0.9131
23 PUE 0.9130
24 NOK 0.9125
25 NAG 0.9110
26 NPS 0.9093
27 EYJ 0.9086
28 B52 0.9081
29 J6W 0.9081
30 3VX 0.9074
31 T1N 0.9073
32 657 0.9064
33 7BX 0.9060
34 N4E 0.9059
35 Z25 0.9052
36 KMY 0.9044
37 I2E 0.9038
38 78U 0.9038
39 2K8 0.9034
40 9BF 0.9026
41 4NS 0.9025
42 S7S 0.9023
43 ZSP 0.9016
44 6L6 0.9013
45 B41 0.9012
46 NAL 0.9012
47 PPN 0.9006
48 S8G 0.9006
49 7PJ 0.9002
50 HNT 0.9001
51 NK5 0.8997
52 MD6 0.8995
53 NGA 0.8990
54 TRP 0.8989
55 2J2 0.8982
56 6N4 0.8978
57 APS 0.8978
58 EE8 0.8977
59 535 0.8965
60 H35 0.8964
61 9KZ 0.8961
62 JOV 0.8956
63 FF2 0.8955
64 54Z 0.8954
65 68A 0.8954
66 E7S 0.8953
67 YI6 0.8953
68 L1O 0.8950
69 ZEC 0.8949
70 PLR 0.8946
71 FER 0.8946
72 TXW 0.8945
73 MP5 0.8937
74 NEU 0.8936
75 PNP 0.8934
76 ZEZ 0.8934
77 AES 0.8930
78 9R5 0.8927
79 MS0 0.8924
80 B61 0.8920
81 4NP 0.8920
82 BQ2 0.8919
83 IQ5 0.8917
84 14W 0.8915
85 4BX 0.8913
86 PH2 0.8909
87 AH9 0.8909
88 6HO 0.8905
89 MPU 0.8904
90 D8Q 0.8903
91 IAC 0.8902
92 NFM 0.8900
93 L15 0.8896
94 AJG 0.8896
95 3XH 0.8894
96 SJK 0.8894
97 IOP 0.8892
98 3R4 0.8890
99 GDL 0.8887
100 428 0.8886
101 6X9 0.8884
102 848 0.8879
103 QIV 0.8877
104 36M 0.8875
105 3C4 0.8873
106 JXK 0.8872
107 WV7 0.8871
108 BHS 0.8864
109 YZ9 0.8859
110 SNO 0.8858
111 0FR 0.8856
112 0OO 0.8855
113 NDG 0.8854
114 S7V 0.8854
115 JYT 0.8851
116 RNO 0.8851
117 4RU 0.8850
118 DHY 0.8847
119 9H2 0.8845
120 0FN 0.8844
121 CTE 0.8841
122 PLP 0.8837
123 6E8 0.8836
124 E1P 0.8836
125 ST3 0.8833
126 BM3 0.8831
127 D1G 0.8831
128 6BC 0.8825
129 GJP 0.8823
130 PMM 0.8821
131 I3E 0.8819
132 Z13 0.8817
133 ET0 0.8816
134 AH6 0.8814
135 A2G 0.8813
136 6FZ 0.8813
137 27K 0.8810
138 0J2 0.8809
139 EV2 0.8806
140 27B 0.8806
141 9VQ 0.8805
142 1OS 0.8800
143 EEK 0.8796
144 EVF 0.8794
145 PXP 0.8793
146 6Q3 0.8792
147 H4B NO 0.8790
148 DTE 0.8790
149 GC2 0.8789
150 GF1 0.8787
151 MAG 0.8783
152 3VW 0.8781
153 BL0 0.8781
154 YF3 0.8780
155 MQG 0.8777
156 JXZ 0.8776
157 3ZB 0.8774
158 SNG 0.8773
159 GNW 0.8773
160 R9Y 0.8768
161 DJN 0.8766
162 ZEA 0.8764
163 D2G 0.8764
164 8XL 0.8761
165 ALE 0.8761
166 XDE 0.8761
167 8WO 0.8758
168 MUX 0.8756
169 BNX 0.8756
170 KW8 0.8752
171 NPA 0.8748
172 1L5 0.8747
173 OQC 0.8747
174 AJ1 0.8746
175 11X 0.8745
176 G6P 0.8739
177 2BG 0.8738
178 Y0V 0.8738
179 E3D 0.8737
180 AC2 0.8736
181 0NX 0.8735
182 S24 0.8734
183 PNZ 0.8733
184 N91 0.8731
185 HHT 0.8731
186 N2M 0.8728
187 FPL 0.8727
188 PMP 0.8727
189 C53 0.8725
190 S0G 0.8725
191 86L 0.8724
192 GF4 0.8724
193 PHE 0.8718
194 BCU 0.8713
195 KLV 0.8711
196 61M 0.8704
197 QMR 0.8704
198 FWD 0.8702
199 92O 0.8701
200 MJ5 0.8698
201 TJM 0.8696
202 0OK 0.8696
203 PYU 0.8695
204 LOG 0.8694
205 3AK 0.8694
206 XCG 0.8693
207 TSR 0.8693
208 N2I 0.8692
209 EPR 0.8691
210 M2E 0.8687
211 YPN 0.8686
212 3IP 0.8685
213 8U3 0.8684
214 4BY 0.8684
215 BPN 0.8682
216 ENO 0.8681
217 DHC 0.8680
218 ST1 0.8679
219 6HP 0.8677
220 PRO GLY 0.8676
221 ONZ 0.8676
222 LVD 0.8675
223 LDP 0.8675
224 EUE 0.8673
225 8ZE 0.8669
226 0JD 0.8668
227 CX4 0.8667
228 531 0.8666
229 3TV 0.8663
230 GLP 0.8662
231 IOS 0.8658
232 PZP 0.8658
233 SRO 0.8657
234 KYN 0.8655
235 E35 0.8654
236 15N 0.8651
237 TYR 0.8651
238 LP8 0.8650
239 Q9P 0.8650
240 AVO 0.8649
241 YOF 0.8648
242 BZJ 0.8645
243 12T 0.8642
244 XI7 0.8640
245 F4E 0.8621
246 CWD 0.8620
247 8NX 0.8620
248 DAH 0.8617
249 PTB 0.8616
250 CUH 0.8614
251 M02 0.8613
252 ATX 0.8613
253 5O6 0.8612
254 5GV 0.8612
255 JY2 0.8612
256 TSS 0.8609
257 BZQ 0.8607
258 RZH 0.8605
259 EZL 0.8604
260 9ZE 0.8602
261 C82 0.8599
262 HBO 0.8595
263 TYE 0.8593
264 5WS 0.8593
265 HHV 0.8592
266 SQV 0.8584
267 BWD 0.8583
268 SKF 0.8581
269 LZ5 0.8581
270 2F8 0.8578
271 F02 0.8577
272 4NM 0.8575
273 HHR 0.8575
274 CSN 0.8568
275 2UZ 0.8567
276 IPD 0.8566
277 6DH 0.8563
278 ALX 0.8561
279 0LA 0.8559
280 PBN 0.8557
281 AU8 0.8550
282 4AF 0.8548
283 WS7 0.8547
284 YZM 0.8544
285 CLU 0.8544
286 DY8 0.8540
287 EGR 0.8539
288 JF2 0.8533
289 6VD 0.8532
290 42J 0.8531
291 57O 0.8531
292 2QC 0.8529
293 RH1 0.8525
294 AX5 0.8515
Ligand no: 2; Ligand: PO4; Similar ligands found: 57
No: Ligand Similarity coefficient
1 TBU 1.0000
2 TMO 1.0000
3 BF4 1.0000
4 2PA 1.0000
5 03S 1.0000
6 GB 1.0000
7 FUS 0.9989
8 ART 0.9929
9 PEJ 0.9903
10 WO6 0.9782
11 9XN 0.9777
12 TB0 0.9492
13 CNH 0.9481
14 TAN 0.9456
15 ETF 0.9436
16 VSO 0.9356
17 LAC 0.9331
18 HSW 0.9321
19 8FH 0.9196
20 2A3 0.9193
21 BEF 0.9155
22 FAH 0.9143
23 2PO 0.9129
24 IPA 0.9111
25 78T 0.9068
26 GOA 0.8999
27 ACM 0.8995
28 PYR 0.8994
29 PPI 0.8990
30 GXV 0.8990
31 GOL 0.8990
32 ACT 0.8955
33 F50 0.8934
34 GLY 0.8927
35 NIE 0.8899
36 SEY 0.8863
37 HVB 0.8847
38 2OP 0.8845
39 AF3 0.8826
40 HBS 0.8771
41 ALA 0.8763
42 HBR 0.8760
43 GLV 0.8757
44 HAE 0.8746
45 F3V 0.8743
46 TAY 0.8730
47 R3W 0.8728
48 AKR 0.8726
49 3ZS 0.8711
50 OXM 0.8701
51 TSZ 0.8684
52 DAL 0.8656
53 KCS 0.8629
54 TRI 0.8616
55 OXL 0.8609
56 2A1 0.8584
57 HLT 0.8558
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LPG; Ligand: 1MV; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 4lpg.bio1) has 76 residues
No: Leader PDB Ligand Sequence Similarity
1 3KRO PPV 30.8475
2 3KRO PPV 30.8475
3 6W7I 476 49.5601
4 6VJC 476 49.5601
5 6W7I 476 49.5601
6 6VJC 476 49.5601
7 4JZB P2H 49.5601
8 4JZX 476 49.5601
9 4JZX 476 49.5601
10 4JZB P2H 49.5601
Pocket No.: 2; Query (leader) PDB : 4LPG; Ligand: 1MV; 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: 4lpg.bio1) has 76 residues
No: Leader PDB Ligand Sequence Similarity
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