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GPCR

Name	5-hydroxytryptamine receptor 1D
Species	Homo sapiens (Human)
Gene	HTR1D
Synonym	Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D 5-HT-1D-alpha 5-HT1D 5-HT1D receptor 5-HT1Dalpha 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled Gpcr14 HT1DA [ Show all ]
Disease	Acute migraine Epilepsy Migraine headaches Mood disorder Migraine Major depressive disorder Severe mood disorders [ Show all ]
Length	377
Amino acid sequence	MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProt	P28221
Protein Data Bank	N/A
GPCR-HGmod model	P28221
3D structure model	This predicted structure model is from GPCR-EXP P28221.
BioLiP	N/A
Therapeutic Target Database	T11072
ChEMBL	CHEMBL1983
IUPHAR	3
DrugBank	BE0000659

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	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 A818524 BCP06661 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 AKOS005066198 BRN 1435710 D01321 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) AS-12557 CCG-220422 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 AC1L1L0W BDBM35255 CHEMBL285802 D0T6QX Engramon I06-0493 NCGC00182081-02 SR-01000872710-1 ZOT 2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin [German] Zotepinum 26615-21-4 AOB5032 C18H18ClNOS 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 B7563 CHEBI:32316 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 ACM26615214 BG0572 Compound-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] API0007219 CAS-26615-21-4 [ 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	0.501187 nM	PMID8935801	IUPHAR
Ki	63.0 nM	PMID8935801	PDSP,BindingDB
Ki	80.0 nM	PMID11132243	PDSP,BindingDB
Ki	175.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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