Receptor
PDB id Resolution Class Description Source Keywords
7JJC 2.36 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NEUROPILIN-1 B1 DOMAIN IN COMPLEX WITH S1 C-END RULE (CENDR) PEPTIDE HOMO SAPIENS NEUROPILIN-1 RECEPTOR BINDING CORONAVIRUS SARS-COV-2 SPIPROTEIN SIGNALING PROTEIN
Ref.: NEUROPILIN-1 IS A HOST FACTOR FOR SARS-COV-2 INFECT SCIENCE V. 370 861 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG B:501;
D:501;
C:501;
A:501;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
ASN SER PRO ARG ARG ALA ARG H:683;
F:683;
G:679;
E:683;
 Valid;
Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.533;
Atoms found LESS than expected: % Diff = 0.533;
none;
Atoms found LESS than expected: % Diff = 0.617;
 Kd = 13 uM
n/a n/a
GOL C:502;
D:502;
C:503;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FMC 0.9 Å NON-ENZYME: OTHER NEUROPILIN1-B1 DOMAIN IN COMPLEX WITH EG01377, 0.9 ANGSTROM HOMO SAPIENS VEGF-RECEPTOR SEMAPHORIN-RECEPTOR SMALL MOLECULE INHIBITORANGIOGENESIS DISCOIDIN DOMAIN SIGNALING PROTEIN
Ref.: SMALL MOLECULE NEUROPILIN-1 ANTAGONISTS COMBINE ANTIANGIOGENIC AND ANTITUMOR ACTIVITY WITH IMMUNE M THROUGH REDUCTION OF TRANSFORMING GROWTH FACTOR BET BETA ) PRODUCTION IN REGULATORY T-CELLS. J. MED. CHEM. V. 61 4135 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 7JJC Kd = 13 uM ASN SER PRO ARG ARG ALA ARG n/a n/a
2 6FMC Kd = 1.32 uM DUE C26 H28 N6 O6 S2 [H]/N=C(/N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 7JJC Kd = 13 uM ASN SER PRO ARG ARG ALA ARG n/a n/a
2 6FMC Kd = 1.32 uM DUE C26 H28 N6 O6 S2 [H]/N=C(/N....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3HNB - 768 C23 H28 Cl2 N4 O2 [H]/N=C/1N....
2 7JJC Kd = 13 uM ASN SER PRO ARG ARG ALA ARG n/a n/a
3 6FMC Kd = 1.32 uM DUE C26 H28 N6 O6 S2 [H]/N=C(/N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASN SER PRO ARG ARG ALA ARG; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: ASN SER PRO ARG ARG ALA ARG; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ASN SER PRO ARG ARG ALA ARG 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FMC; Ligand: DUE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6fmc.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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