Receptor
PDB id Resolution Class Description Source Keywords
1A6V 1.8 Å NON-ENZYME: IMMUNE B1-8 FV FRAGMENT COMPLEXED WITH A (4-HYDROXY-3-NITROPHENYL) COMPOUND MUS MUSCULUS IMMUNOGLOBULIN HAPTEN IMMUNE SYSTEM
Ref.: X-RAY STRUCTURES OF FV FRAGMENT AND ITS (4-HYDROXY-3-NITROPHENYL)ACETATE COMPLEX OF MURINE ANTIBODY TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NPC H:432;
H:433;
H:430;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
309.295 C14 H17 N2 O6 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OAU 1.8 Å NON-ENZYME: IMMUNE FV STRUCTURE OF THE IGE SPE-7 IN COMPLEX WITH DNP-SER (IMMUNISING HAPTEN) MUS MUSCULUS IMMUNE SYSTEM ANTIBODY/COMPLEX ANTIBODY ALLERGY IGE CONFORMATIONAL DIVERSITY MULTISPECIFICITY
Ref.: ANTIBODY MULTISPECIFICITY MEDIATED BY CONFORMATIONAL DIVERSITY SCIENCE V. 299 1362 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
2 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
3 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
4 1OAU Kd = 20 nM DNF SER n/a n/a
5 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1MFA Kd = 9.1 uM GLA MMA ABE n/a n/a
2 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
3 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
4 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
5 1OAU Kd = 20 nM DNF SER n/a n/a
6 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3DUS - KDO C8 H14 O8 C1[C@H]([C....
8 3DUR - KDO C8 H14 O8 C1[C@H]([C....
9 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
10 1DL7 Kd = 0.32 uM NCH C11 H18 N2 O6 P C[N+](C)(C....
11 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
12 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
13 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
14 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
15 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NPC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NPC 1 1
2 NIP 0.591549 0.936508
3 NPA 0.516667 0.728814
Similar Binding Sites (Proteins are less than 50% similar to leader)
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