Receptor
PDB id Resolution Class Description Source Keywords
1H0A 1.7 Å NON-ENZYME: OTHER EPSIN ENTH BOUND TO INS(1,4,5)P3 RATTUS NORVEGICUS ENDOCYTOSIS EPSIN ENTH CLATHRIN TRISKELION COATED VESICLES ALPHA-ALPHA SUPERHELIX INS(1 4 5)P3
Ref.: CURVATURE OF CLATHRIN-COATED PITS DRIVEN BY EPSIN NATURE V. 419 361 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIO A:1159;
A:1160;
A:1161;
A:1162;
A:1163;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
88.105 C4 H8 O2 C1COC...
I3P A:1164;
Valid;
none;
Kd = 3.6 uM
420.096 C6 H15 O15 P3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H0A 1.7 Å NON-ENZYME: OTHER EPSIN ENTH BOUND TO INS(1,4,5)P3 RATTUS NORVEGICUS ENDOCYTOSIS EPSIN ENTH CLATHRIN TRISKELION COATED VESICLES ALPHA-ALPHA SUPERHELIX INS(1 4 5)P3
Ref.: CURVATURE OF CLATHRIN-COATED PITS DRIVEN BY EPSIN NATURE V. 419 361 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1H0A Kd = 3.6 uM I3P C6 H15 O15 P3 [C@H]1([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1H0A Kd = 3.6 uM I3P C6 H15 O15 P3 [C@H]1([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1H0A Kd = 3.6 uM I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3P 1 1
2 I3S 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5MY 0.6 0.933333
10 IP5 0.6 0.933333
11 5IP 0.6 0.933333
12 I5P 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 I6P 0.481481 0.933333
16 IHP 0.481481 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H0A; Ligand: I3P; Similar sites found: 81
This union binding pocket(no: 1) in the query (biounit: 1h0a.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4E5H 0N8 0.005452 0.4475 None
2 4B5P ACO 0.006734 0.44683 None
3 4OAR 2S0 0.009787 0.42669 None
4 2FTB OLA 0.02032 0.42528 None
5 1SR7 MOF 0.02095 0.42496 None
6 1ZDT PEF 0.01735 0.42245 None
7 4URN NOV 0.006495 0.42024 None
8 2ZFU SAH 0.01817 0.41616 None
9 4GQL R47 0.03687 0.4129 None
10 1ESM COA 0.03858 0.40375 None
11 2QM9 TDZ 0.02694 0.40178 None
12 2OHV NHL 0.01876 0.40102 None
13 4Q9M FPP 0.03212 0.41366 1.26582
14 2PX6 DH9 0.01239 0.41074 1.26582
15 2LBD REA 0.02631 0.41252 1.89873
16 1FCZ 156 0.0261 0.41169 1.89873
17 1VQ2 DDN 0.02022 0.40488 1.89873
18 3KMR EQN 0.02771 0.40293 1.89873
19 2W14 WR2 0.006917 0.4276 2.53165
20 5T67 JHZ 0.03996 0.41755 2.53165
21 4EDF UPG 0.03951 0.41649 2.53165
22 5B4B LP5 0.0329 0.41311 2.53165
23 5HZ9 5M8 0.03569 0.40335 2.96296
24 5L13 6ZE 0.0172 0.44376 3.16456
25 5SWB NAG BMA MAN MAN MAN MAN 0.02446 0.41416 3.16456
26 1LN1 DLP 0.03713 0.40835 3.16456
27 4ZAC 4LU 0.04241 0.40521 3.16456
28 3LDQ 3P1 0.02788 0.40246 3.16456
29 4AZP A9M 0.03533 0.40015 3.62319
30 5LGA 6VH 0.04728 0.40649 3.79747
31 4I71 AGV 0.02643 0.40093 4.43038
32 3JRX S1A 0.004607 0.44093 5.06329
33 4EI7 GDP 0.01039 0.43251 5.06329
34 4OIV XX9 0.04885 0.40987 5.06329
35 2GFD RDA 0.02739 0.40877 5.06329
36 5GUD NDP 0.04842 0.40838 5.06329
37 5K7H IVC 0.02888 0.40511 5.06329
38 4DXJ 0M9 0.01559 0.40331 5.06329
39 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 0.04136 0.40229 5.06329
40 5HZ5 65X 0.005932 0.44066 5.22388
41 1W96 S1A 0.0039 0.44377 5.6962
42 3HBV ALA LYS ALA SER GLN ALA ALA 0.01445 0.40803 5.6962
43 4M73 M72 0.0464 0.40424 5.6962
44 5FM0 WAQ 0.003922 0.46089 6.32911
45 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.04852 0.41335 6.32911
46 5CJH 522 0.02748 0.41233 6.32911
47 4E90 7RG 0.02209 0.40458 6.32911
48 1U3D FAD 0.04278 0.40116 6.32911
49 3KB9 BTM 0.02219 0.40005 6.5445
50 2V1O COA 0.04217 0.4007 6.62252
51 1VR0 3SL 0.004867 0.42738 7.59494
52 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.02705 0.4234 7.59494
53 3F3E LEU 0.02456 0.42154 7.59494
54 3HLX PQQ 0.01991 0.41422 7.59494
55 2AX9 BHM 0.04497 0.4124 7.59494
56 5HCN DAO 0.01146 0.40675 7.59494
57 3G08 FEE 0.03976 0.42347 8.22785
58 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.02537 0.4166 8.22785
59 1TIW FAD 0.04164 0.41535 8.22785
60 1TIW TFB 0.04164 0.41535 8.22785
61 1A05 IPM 0.01099 0.40583 8.22785
62 4I4B NAD 0.02319 0.43761 8.86076
63 2HHJ 3PG 0.006796 0.42126 9.49367
64 1BGQ RDC 0.02695 0.41198 9.49367
65 4NMC 2OP 0.04524 0.40987 9.49367
66 5LOF 70R 0.04242 0.40292 9.49367
67 4YWV SSN 0.02401 0.41851 10.7595
68 4G6I RS3 0.03587 0.40642 10.7595
69 4Y2H 49K 0.02402 0.42622 11.3924
70 1J78 VDY 0.01063 0.41089 13.2911
71 4P6X HCY 0.0314 0.40025 13.2911
72 4INW 1EY 0.01048 0.42089 15
73 5B25 4QJ 0.03268 0.40219 15.1899
74 4G4S LDZ 0.007161 0.42958 17.7215
75 1YOK P6L 0.0334 0.41521 18.9873
76 1YUC EPH 0.04514 0.40011 18.9873
77 1O98 2PG 0.009307 0.41853 20.2532
78 1DB1 VDX 0.04027 0.40795 23.4177
79 5BYZ 4WE 0.03441 0.41066 27.8481
80 2GTE VA 0.03599 0.40021 29.8387
81 5VZ0 2BA 0.01255 0.41181 43.038
Feedback