Receptor
PDB id Resolution Class Description Source Keywords
4P7U 1.5 Å NON-ENZYME: SIGNAL_HORMONE EXTRACELLULAR DOMAIN OF TYPE II TRANSFORMING GROWTH FACTOR B RECEPTOR IN COMPLEX WITH NDSB-201 HOMO SAPIENS NDSB-201 TYPE II TRANSFORMING GROWTH FACTOR BETA RECEPTOR PROTEIN
Ref.: THE NON-DETERGENT SULFOBETAINE-201 ACTS AS A PHARMA CHAPERONE TO PROMOTE FOLDING AND CRYSTALLIZATION OF II TGF-BETA RECEPTOR EXTRACELLULAR DOMAIN. PROTEIN EXPR.PURIF. V. 115 19 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PS A:201;
Valid;
Atoms found MORE than expected: % Diff = 2;
submit data
201.243 C8 H11 N O3 S c1cc[...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P7U 1.5 Å NON-ENZYME: SIGNAL_HORMONE EXTRACELLULAR DOMAIN OF TYPE II TRANSFORMING GROWTH FACTOR B RECEPTOR IN COMPLEX WITH NDSB-201 HOMO SAPIENS NDSB-201 TYPE II TRANSFORMING GROWTH FACTOR BETA RECEPTOR PROTEIN
Ref.: THE NON-DETERGENT SULFOBETAINE-201 ACTS AS A PHARMA CHAPERONE TO PROMOTE FOLDING AND CRYSTALLIZATION OF II TGF-BETA RECEPTOR EXTRACELLULAR DOMAIN. PROTEIN EXPR.PURIF. V. 115 19 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 4P7U - 1PS C8 H11 N O3 S c1cc[n+](c....
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 4P7U - 1PS C8 H11 N O3 S c1cc[n+](c....
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 4P7U - 1PS C8 H11 N O3 S c1cc[n+](c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1PS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1PS 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P7U; Ligand: 1PS; Similar sites found: 31
This union binding pocket(no: 1) in the query (biounit: 4p7u.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HIW C2X 0.01367 0.42513 None
2 1I1D 16G 0.04797 0.41257 None
3 1M4I KAN 0.0347 0.41202 None
4 1M4I COA 0.0347 0.41202 None
5 1M4I PAP 0.0347 0.41202 None
6 1I1D COA 0.03983 0.40927 None
7 2IL4 COA 0.03054 0.40138 None
8 3HAD NAD 0.04138 0.40839 1.78571
9 3VX3 ADP 0.02268 0.40154 2.67857
10 4HVK PMP 0.007469 0.41608 3.57143
11 3R96 ACO 0.01698 0.42182 4.46429
12 3R96 AMP 0.01698 0.42182 4.46429
13 4BAE RWX 0.01507 0.40513 4.46429
14 4IRL MTT 0.04021 0.40233 4.46429
15 5H7N MTT 0.04137 0.4009 4.46429
16 4BKJ STI 0.02823 0.40377 5.35714
17 1YVZ JPC 0.007008 0.42367 6.25
18 4J4H 1J1 0.0282 0.42141 6.25
19 5URY PAM 0.003208 0.41638 7.14286
20 5J8O 6GZ 0.02347 0.41178 7.14286
21 1IM8 SAI 0.02553 0.40473 7.14286
22 5T48 MGP 0.01482 0.40123 7.14286
23 5EKO N17 0.006518 0.44617 8.03571
24 5DQ8 FLF 0.02204 0.42006 8.03571
25 3CBC DBS 0.01074 0.41727 8.03571
26 2Q4V ACO 0.02695 0.40975 8.03571
27 4F9C 0SX 0.02044 0.40108 8.03571
28 1KGI T4A 0.01249 0.42107 9.82143
29 1KUV CA5 0.01642 0.41965 9.82143
30 1CJW COT 0.01835 0.41138 9.82143
31 2QZ3 XYP XYP XYP 0.01762 0.41933 15.1786
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