ACETYLCHOLINE BINDING PROTEIN (ACHBP) AS TEMPLATE FOR HIERAR IN SILICO SCREENING PROCEDURES TO IDENTIFY STRUCTURALLY NOVL IGANDS FOR THE NICOTINIC RECEPTORS
PDB id Source Resolution
2XNV 2.44 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
VU3 Valid Ki =  5.0 uM   launch gocavviewer-lite   304.429
C21 H24 N2
 c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3

ACETYLCHOLINE BINDING PROTEIN (ACHBP) AS TEMPLATE FOR HIERARCHICAL IN SILICO SCREENING PROCEDURES TO IDENTIFY STRUCTURALLY NOVEL LIGANDS FOR THE NICOTINIC RECEPTORS. BIOORG.MED.CHEM. V. 19 6107 2011

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90% Homology Family

The Class containing this family consists of a total of 172 families.
Leader:    2X00
CRYSTAL STRUCTURE OF A-ACHBP IN COMPLEX WITH GYMNODIMINE A
PDB id Binding data Representative ligand
2X00 Kd = 0.0047 nM GYN
2BYR Kd = 2.8 nM MLK
2BYS Kd = 0.3 nM LOB
2PGZ Kd = 1.8 uM COC
2WN9 Kd = 3.0 nM ZY5
2WNC Kd = 479.0 nM TKT
2WNJ Kd = 330.0 nM ZY7
2XNV Ki = 5.0 uM VU3
2XYS Ki = 38.0 nM SY9
2XYT Ki = 509.2 nM TC9
3C79 Kd = 63.0 nM IM4
3C84 Kd = 14.0 nM TH4