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Structure of PDB 2xnv Chain H Binding Site BS01

Receptor Information >2xnv Chain H (length=205) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKVDSSTNEVDL VYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVL SPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGVTCAVKFGSWVYSGF EIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV KFRER

Ligand information Ligand ID VU3 InChI InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2 InChIKey PXWYOBGHDFLUNG-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.352 C1CN(CCC1c2ccccc2)CCc3[nH]c4ccccc4c3 OpenEye OEToolkits 1.6.1 c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3 ACDLabs 10.04 c2(cc1ccccc1n2)CCN4CCC(c3ccccc3)CC4 Formula C21 H24 N2 Name 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE ChEMBL CHEMBL1831032 DrugBank ZINC ZINC000007078410 PDB chain 2xnv Chain H Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2xnv Acetylcholine Binding Protein (Achbp) as Template for Hierarchical in Silico Screening Procedures to Identify Structurally Novel Ligands for the Nicotinic Receptors. Resolution 2.44 Å Binding residue (original residue number in PDB) Y91 W145 C188 C189 Binding residue (residue number reindexed from 1) Y91 W145 C188 C189 Annotation score 1 Binding affinity MOAD: Ki=5uM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0004888 transmembrane signaling receptor activity GO:0005216 monoatomic ion channel activity GO:0005230 extracellular ligand-gated monoatomic ion channel activity

	Biological Process
GO:0006811	monoatomic ion transport
GO:0034220	monoatomic ion transmembrane transport

	Cellular Component
GO:0016020	membrane

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