Receptor
PDB id Resolution Class Description Source Keywords
1GMN 2.3 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MR ECEPTOR HOMO SAPIENS HGF/SF HORMONE/GROWTH FACTOR HORMONE-GROWTH FACTOR COMPLEX
Ref.: CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT A OF THE MET RECEPTOR EMBO J. V. 20 5543 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPE A:1213;
B:1210;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
IDS SGN IDS SGN IDS A:1208;
Valid;
none;
submit data
1403.06 n/a [S+2]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GMN 2.3 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MR ECEPTOR HOMO SAPIENS HGF/SF HORMONE/GROWTH FACTOR HORMONE-GROWTH FACTOR COMPLEX
Ref.: CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT A OF THE MET RECEPTOR EMBO J. V. 20 5543 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1GMN - IDS SGN IDS SGN IDS n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1GMN - IDS SGN IDS SGN IDS n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1GMN - IDS SGN IDS SGN IDS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IDS SGN IDS SGN IDS; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 IDS SGN IDS SGN IDS 1 1
2 SGN IDS SGN IDS SGN IDS 0.795918 0.967742
3 IDS SGN IDS SGN IDS IDS 0.731481 0.983871
4 IDS SGN IDS SGN IDS SUS IDS SGN 0.715596 0.967742
5 UAP SGN IDS SGN IDS 0.681416 0.952381
6 SGN IDS SGN IDS 0.62963 0.983607
7 IDU SGN 0.62 0.95082
8 SGN IXD 0.62 0.95082
9 SGN IDS SGN IDS SGN 0.617391 0.983871
10 UAP SGN IDS SGN IDS SGN 0.561983 0.952381
11 SGN IDS UAP SGN IDS SGN 0.561983 0.952381
12 UAP SGN IDS SGN 0.561983 0.952381
13 SGN IDS UAP SGN 0.561983 0.952381
14 NGY BDP SGN IDS SGN BDP 0.550388 0.938462
15 SGN IDY 0.518868 0.890625
16 SUS IDY 0.455357 0.859375
17 GNS BDP GNS IDS GNS BDP NPO 0.426471 0.821918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GMN; Ligand: IDS SGN IDS SGN IDS; Similar sites found: 74
This union binding pocket(no: 1) in the query (biounit: 1gmn.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZTE 4RL 0.01223 0.42002 None
2 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.01007 0.40094 None
3 1JIF CU BLM 0.0391 0.40007 None
4 3WYJ H78 0.01736 0.44743 1.0929
5 1RYD GLC 0.007469 0.41227 1.55039
6 4M0R 644 0.02593 0.42943 1.63934
7 2PD4 DCN 0.03283 0.41846 1.63934
8 2PD4 NAD 0.03312 0.41834 1.63934
9 5HCY 60D 0.03246 0.42043 2.18579
10 3G5D 1N1 0.01105 0.45361 2.73224
11 4FC7 COA 0.01519 0.4433 2.73224
12 4FC7 NAP 0.01519 0.4433 2.73224
13 4CQE CQE 0.01424 0.43688 2.73224
14 3OJF IMJ 0.02331 0.43312 2.73224
15 5LKT BCO 0.01078 0.42959 2.73224
16 3KRR DQX 0.0361 0.42883 2.73224
17 3OJF NDP 0.0226 0.42856 2.73224
18 5L4L NAP 0.01634 0.41786 2.73224
19 3GFZ C2E 0.04387 0.40011 2.73224
20 1AFS NAP 0.01025 0.43586 3.27869
21 3CV7 C2U 0.02796 0.42061 3.27869
22 3CV7 NAP 0.02692 0.42061 3.27869
23 1GS5 NLG 0.03002 0.41602 3.27869
24 5H2U 1N1 0.02006 0.41021 3.27869
25 4JB1 FAD 0.01933 0.44115 3.82514
26 4JB1 NAP 0.01875 0.44115 3.82514
27 3CV6 HXS 0.01613 0.43369 3.82514
28 3CV6 NAP 0.01553 0.43369 3.82514
29 1TLL FMN 0.03043 0.407 3.82514
30 3KJD 78P 0.02747 0.40617 3.82514
31 3ZOD HQE 0.02031 0.41793 4.37158
32 1ZUA TOL 0.04703 0.41707 4.37158
33 1ZUA NAP 0.04703 0.41707 4.37158
34 3KRB NAP 0.02493 0.41311 4.37158
35 4U31 MVP 0.04065 0.40594 4.37158
36 1WNG SAH 0.0273 0.40078 4.37158
37 3WV1 WHH 0.04875 0.41175 4.67836
38 1PI5 SM2 0.032 0.42832 4.91803
39 3DEK RXD 0.02312 0.41297 4.91803
40 4EZW ASN ARG LEU LEU LEU THR GLY 0.01555 0.40824 4.91803
41 1CXZ GSP 0.02035 0.41379 4.94506
42 2BGS NDP 0.006066 0.44927 5.46448
43 5JH2 A2P 0.002777 0.43732 5.46448
44 3DLG GWE 0.02378 0.43579 5.46448
45 3BIY 01K 0.01536 0.41992 5.46448
46 3TKI S25 0.04783 0.41499 5.46448
47 4B74 1LH 0.0175 0.41052 5.46448
48 1ZGD NAP 0.03318 0.40717 5.46448
49 2XVD AS6 0.04023 0.40298 5.46448
50 2BVE PH5 0.001453 0.45634 5.88235
51 3R96 AMP 0.02077 0.42967 6.01093
52 3R96 ACO 0.02077 0.42967 6.01093
53 5JFT ACE ASP GLU VAL ASP 0QE 0.01618 0.40977 6.01093
54 1QJI PKF 0.01997 0.40915 6.01093
55 2MBR EPU 0.04461 0.42291 6.55738
56 2MBR FAD 0.04557 0.42289 6.55738
57 1CLU DBG 0.03435 0.41642 6.62651
58 4M69 ANP 0.01874 0.41203 7.10383
59 5U3B 7TD 0.03934 0.40577 7.10383
60 1OIX GDP 0.04089 0.40099 7.10383
61 2UUU PL3 0.0143 0.45116 7.65027
62 2UUU FAD 0.0143 0.45116 7.65027
63 1P0H COA 0.04985 0.42384 7.65027
64 5BVE 4VG 0.004081 0.47902 8.19672
65 5IE3 AMP 0.01156 0.43334 8.19672
66 5IE3 OXD 0.01156 0.43334 8.19672
67 2P1M IHP 0.003761 0.45987 9.83607
68 2P1O NLA 0.006135 0.45419 9.83607
69 3R5J ACE ALA ASP VAL ALA ASA 0.01437 0.41687 9.83607
70 2RCU BUJ 0.03048 0.42797 10.3825
71 5L0U 660 0.03232 0.40763 10.929
72 5IUC SIA GAL A2G 0.01362 0.4067 11.0236
73 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.002145 0.4354 13.1148
74 2GU8 796 0.01483 0.44588 40
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