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GPCR

Name	5-hydroxytryptamine receptor 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

Ligand

Name	zotepine
Molecular formula	C18H18ClNOS
IUPAC name	2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine
Molecular weight	331.858
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.8
Synonyms	ACM26615214 BG0572 Compound-4 DSSTox_RID_77187 HDOZVRUNCMBHFH-UHFFFAOYSA-N MFCD00868143 Setous (TN) ZINC2264 2-(8-chlorobenzo[b][1]benzothiepin-6-yl)oxy-N,N-dimethylethanamine Zotepine [INN:BAN:JAN] 2-[(8-chlorodibenzo[b,f]-thiepin-10-yl)oxy]-N,N-dimethylethanamine API0007219 CAS-26615-21-4 Ethanamine, 2-((8-chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl- InChI=1/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 NCGC00182081-03 TL8002119 Zotepina 2-Chloro-11-(2-(dimethylamino)ethoxy)dibenzo(b,f)thiepin Zotepinum [INN-Latin] A818524 BCP06661 DSSTox_CID_3756 GTPL103 LS-61385 SCHEMBL114409 U29O83JAZW 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine 2-[(3-chloro-5-benzo[b][1]benzothiepinyl)oxy]-N,N-dimethylethanamine AKOS005066198 BRN 1435710 D01321 DTXSID9023756 HMS3713E06 MolPort-003-986-686 SR-01000872710 Zoleptil 2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin Zotepine [INN:JAN] 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanamine AS-12557 CCG-220422 DB09225 Ethanamine, 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethyl- L000902 NCGC00182081-04 Tox21_113135 2-((8-Chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethanamine Zotepina [INN-Spanish] 2-Chloro-11-(2-dimethylaminoethoxy)-dibenzo(b,f)thiepine 5-17-04-00588 (Beilstein Handbook Reference) AC1L1L0W BDBM35255 CHEMBL285802 DSSTox_GSID_23756 HDOZVRUNCMBHFH-UHFFFAOYSA- Majorpin Setous UNII-U29O83JAZW 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine Zotepine (JAN/INN) 2-[(8-Chlorodibenzo(Z)[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanamine AOB5032 C18H18ClNOS D0T6QX Engramon I06-0493 NCGC00182081-02 SR-01000872710-1 ZOT 2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin [German] Zotepinum 26615-21-4 B7563 CHEBI:32316 DIBENZO(b,f)THIEPIN, 2-CHLORO-11-(2-(DIMETHYLAMINO)ETHOXY)- FT-0655460 Lodopin Nipolept Tox21_113135_1 2-((8-Chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethylamine Zotepina [Spanish] 2-chloro-11-(2-dimethylaminoethoxy)dibenzo(b,f)thiepine 615Z214 [ Show all ]
Inchi Key	HDOZVRUNCMBHFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
PubChem CID	5736
ChEMBL	CHEMBL285802
IUPHAR	103
BindingDB	35255
DrugBank	DB09225
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	316.228 nM	PMID8935801	IUPHAR
Ki	320.0 nM	PMID8935801	PDSP,BindingDB
Ki	1080.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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