-->
Receptor
PDB id Resolution Class Description Source Keywords
1MRH 2 Å EC: 3.2.2.22 STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS MOMORDICA CHARANTIA RIBOSOME-INACTIVATING PROTEIN
Ref.: STUDIES ON CRYSTAL STRUCTURES, ACTIVE-CENTRE GEOMETRY AND DEPURINATING MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS. BIOCHEM.J. V. 309 285 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMC A:300;
Valid;
none;
submit data
267.241 C10 H13 N5 O4 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MRH 2 Å EC: 3.2.2.22 STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS MOMORDICA CHARANTIA RIBOSOME-INACTIVATING PROTEIN
Ref.: STUDIES ON CRYSTAL STRUCTURES, ACTIVE-CENTRE GEOMETRY AND DEPURINATING MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS. BIOCHEM.J. V. 309 285 1995
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1AHB - FMP C10 H14 N5 O7 P c1nc2c(c(n....
2 1AHA - ADE C5 H5 N5 c1[nH]c2c(....
3 3N1N - GUN C5 H5 N5 O c1[nH]c2c(....
4 3V2K - ADE C5 H5 N5 c1[nH]c2c(....
5 3RL9 - ADE C5 H5 N5 c1[nH]c2c(....
6 3SJ6 - RIP C5 H10 O5 C1[C@H]([C....
7 1MRH - FMC C10 H13 N5 O4 c1nc2c(c(n....
8 3U6Z - ADE C5 H5 N5 c1[nH]c2c(....
9 1MRG - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1GIU - ADE C5 H5 N5 c1[nH]c2c(....
2 1MRK - FMC C10 H13 N5 O4 c1nc2c(c(n....
3 1QD2 - ADE C5 H5 N5 c1[nH]c2c(....
4 1TCS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 1MRJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
6 1NLI Kd = 260 uM ADE C5 H5 N5 c1[nH]c2c(....
7 1GIS - DA C10 H14 N5 O6 P c1nc(c2c(n....
8 1AHB - FMP C10 H14 N5 O7 P c1nc2c(c(n....
9 1AHA - ADE C5 H5 N5 c1[nH]c2c(....
10 3N1N - GUN C5 H5 N5 O c1[nH]c2c(....
11 3V2K - ADE C5 H5 N5 c1[nH]c2c(....
12 3RL9 - ADE C5 H5 N5 c1[nH]c2c(....
13 3SJ6 - RIP C5 H10 O5 C1[C@H]([C....
14 1MRH - FMC C10 H13 N5 O4 c1nc2c(c(n....
15 3U6Z - ADE C5 H5 N5 c1[nH]c2c(....
16 1MRG - ADN C10 H13 N5 O4 c1nc(c2c(n....
50% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5DDZ - ASP ASP ASP MET GLY PHE GLY LEU PHE ASP n/a n/a
2 4MX5 ic50 = 28 uM 5MX C17 H17 N7 O4 c1ccc(cc1)....
3 4HV7 ic50 = 300 uM 19J C11 H11 N7 O5 c1c(nc2c(n....
4 3PX8 ic50 = 230 uM JP2 C7 H5 N5 O3 c1c(nc2c(n....
5 5GU4 Kd = 3.4 uM ASP ASP MET GLY PHE GLY LEU PHE ASP n/a n/a
6 1BR6 Ki = 0.6 mM PT1 C14 H12 N6 O3 c1cc(ccc1C....
7 4ESI ic50 = 70 uM 0RB C10 H9 N9 O2 c1c([nH]nn....
8 4HV3 ic50 = 115 uM 19L C21 H20 N8 O6 c1ccc2c(c1....
9 1BR5 Ki = 2 mM NEO C9 H11 N5 O4 c1c(nc2c(n....
10 3EJ5 ic50 = 0.27 mM EJ5 C14 H15 N3 O4 c1cc(ccc1C....
11 4MX1 ic50 = 209 uM 1MX C16 H16 N8 O3 c1ccc(cc1)....
12 3PX9 ic50 = 380 uM JP3 C12 H10 N6 O3 c1cc(oc1)C....
13 4HUO ic50 = 20 uM RS8 C18 H17 N7 O5 c1ccc(cc1)....
14 2P8N Kd = 700 uM ADE C5 H5 N5 c1[nH]c2c(....
15 1J1M - TRE C12 H22 O11 C([C@@H]1[....
16 4Q2V - 0XE C21 H18 O11 c1ccc(cc1)....
17 4HUP ic50 = 15 uM 19M C27 H26 N8 O6 c1ccc(cc1)....
18 1IFS - ADE C5 H5 N5 c1[nH]c2c(....
19 1IFU - FMC C10 H13 N5 O4 c1nc2c(c(n....
20 3HIO - C2X C51 H72 N21 O29 P5 CO[C@@H]1[....
21 2PJO Kd = 900 mM NMU C2 H6 N2 O CNC(=O)N
22 2R3D Kd = 1.4 M ACM C2 H5 N O CC(=O)N
23 3KU0 - ADE C5 H5 N5 c1[nH]c2c(....
24 2QET - ADE C5 H5 N5 c1[nH]c2c(....
25 1LPC - CMP C10 H12 N5 O6 P c1nc(c2c(n....
26 1GIU - ADE C5 H5 N5 c1[nH]c2c(....
27 1MRK - FMC C10 H13 N5 O4 c1nc2c(c(n....
28 1QD2 - ADE C5 H5 N5 c1[nH]c2c(....
29 1TCS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
30 1MRJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
31 1NLI Kd = 260 uM ADE C5 H5 N5 c1[nH]c2c(....
32 1GIS - DA C10 H14 N5 O6 P c1nc(c2c(n....
33 1AHB - FMP C10 H14 N5 O7 P c1nc2c(c(n....
34 1AHA - ADE C5 H5 N5 c1[nH]c2c(....
35 3N1N - GUN C5 H5 N5 O c1[nH]c2c(....
36 3V2K - ADE C5 H5 N5 c1[nH]c2c(....
37 3RL9 - ADE C5 H5 N5 c1[nH]c2c(....
38 3SJ6 - RIP C5 H10 O5 C1[C@H]([C....
39 1MRH - FMC C10 H13 N5 O4 c1nc2c(c(n....
40 3U6Z - ADE C5 H5 N5 c1[nH]c2c(....
41 1MRG - ADN C10 H13 N5 O4 c1nc(c2c(n....
42 1J1S - FMP C10 H14 N5 O7 P c1nc2c(c(n....
43 1D6A - GUN C5 H5 N5 O c1[nH]c2c(....
44 1QCJ - APT C14 H13 N6 O3 c1cc(ccc1C....
45 1QCI - ADE C5 H5 N5 c1[nH]c2c(....
46 3LE7 - ADE C5 H5 N5 c1[nH]c2c(....
47 5Z3J - NCA C6 H6 N2 O c1cc(cnc1)....
48 5Z3I - ADE C5 H5 N5 c1[nH]c2c(....
49 3HIW Ki = 3.9 nM C2X C51 H72 N21 O29 P5 CO[C@@H]1[....
50 3HIV Ki = 7.5 nM TXN C37 H52 N15 O20 P3 CO[C@@H]1[....
51 3HIT Ki = 6.4 nM DYN C30 H47 N10 O17 P3 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FMC 1 1
2 FMP 0.731343 0.846154
3 FM1 0.597015 0.949153
4 FM2 0.573529 0.876923
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MRH; Ligand: FMC; Similar sites found with APoc: 124
This union binding pocket(no: 1) in the query (biounit: 1mrh.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5ETR 5RW None
2 5ETR APC None
3 3QLM PLM None
4 2CHT TSA None
5 3KP6 SAL None
6 1ECM TSA None
7 1NU4 MLA None
8 2C3Q GTX None
9 2QX0 APC None
10 3UWB BB2 1.2987
11 2UXI G50 1.42857
12 5MIL DUP 1.48515
13 5TWJ SAM 1.85185
14 2PO3 T4K 1.90114
15 2CIX CEJ 2.28137
16 2Y31 SMQ 2.28137
17 5AA4 6X4 2.28137
18 4CNE SAH 2.28137
19 1YUC EPH 2.35294
20 5UNJ RJW 2.44898
21 1ZDU P3A 2.44898
22 1YP0 PEF 2.51046
23 2ORV 4TA 2.5641
24 2BHW NEX 2.58621
25 3LZW NAP 2.6616
26 3LZW FAD 2.6616
27 3ZS7 ATP 2.6616
28 3ABA FLI 2.6616
29 1N46 PFA 2.71318
30 5MYD DUP 2.89855
31 3BBD SAH 2.92683
32 5NM7 GLY 3.00752
33 1XSE NDP 3.04183
34 6GAS FAD 3.04183
35 1K0E TRP 3.04183
36 4CD6 IFM BMA 3.04183
37 1W4R TTP 3.07692
38 3M6P BB2 3.10881
39 1O5O U5P 3.16742
40 3LCV SAM 3.20285
41 1GHE ACO 3.38983
42 1N1G BCP 3.42205
43 4IDC NDP 3.42205
44 4IDC 1XX 3.42205
45 1NAA ABL 3.42205
46 2YPO PHE 3.42205
47 1NAA 6FA 3.42205
48 5X62 SAH 3.42205
49 5B0I BOG 3.42205
50 4INB 1F6 3.42466
51 2OYS FMN 3.71901
52 4Q0A 4OA 3.80228
53 6G5J EM8 3.80228
54 2BVL UDP 3.80228
55 2BVL GLC 3.80228
56 1Q8A HCS 3.80228
57 1P9P SAH 3.83142
58 1EDO NAP 4.09836
59 2IVD FAD 4.18251
60 6A8H AHR AHR AHR 4.18251
61 3EBL GA4 4.18251
62 1FM9 9CR 4.20168
63 1BKC INN 4.29688
64 4POJ 2VP 4.329
65 4M8E 29V 4.329
66 5CSD ACD 4.40252
67 6B5Q PPI CZS 2KY MLY 1XY 4.44444
68 2RGO FAD 4.56274
69 1QZR ANP 4.56274
70 6BVI EC4 4.79042
71 6BVL EBY 4.79042
72 6BVJ EAS 4.79042
73 6EAC ANP 4.94297
74 1ATL 0QI 4.9505
75 3AIA SAM 5.21327
76 4YKG FAD 5.32319
77 1R27 MGD 5.32319
78 2ZSH GA3 5.45455
79 5OCA 9QZ 5.55556
80 5LWY OLA 5.60748
81 1OPK MYR 6.08365
82 4RW3 PLM 6.08365
83 5I7S NAD 6.08365
84 5I7S E9P 6.08365
85 4MRP GSH 6.08365
86 6BWL UDP 6.08365
87 2YY8 SAM 6.46766
88 1UPF URF 6.69643
89 4C3Y FAD 6.84411
90 1FL2 FAD 6.84411
91 1T0S BML 6.97674
92 5X8G S0N 7.01031
93 5L7G 6QE 7.21311
94 5XKT GNP 7.5
95 1TMM APC 7.59494
96 1TMM HHR 7.59494
97 1XVB BHL 7.64706
98 4CNG SAH 7.84314
99 3RG9 NDP 7.91667
100 3RG9 WRA 7.91667
101 1RPN NDP 7.98479
102 1FFU FAD 7.98479
103 5OWC AYZ 8.19672
104 3AD8 NAD 8.36502
105 3QWI NAP 8.36502
106 3FPZ AHZ 8.74525
107 5AIP 4HP 8.90411
108 1JQ9 PHE LEU SER TYR LYS 9.09091
109 4I90 CHT 9.5057
110 3WDM ADN 9.57854
111 1Q3A NGH 9.69697
112 1XTT U5P 9.72222
113 4D7E FAD 9.88593
114 2GJ3 FAD 10
115 1GNI OLA 11.0266
116 1LNX URI 11.1111
117 1GG6 APL 11.4504
118 2QJY SMA 12.2995
119 5BYK OAQ 13.8996
120 5BYK A3P 13.8996
121 5UC9 MYR 14.6018
122 5Y77 FAD 18.6312
123 3CX5 SMA 20
124 3CXH SMA 20
APoc FAQ
Feedback