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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3459
IUPHAR	2
DrugBank	N/A

Ligand

Name	Arotinolol
Molecular formula	C15H21N3O2S3
IUPAC name	5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
Molecular weight	371.532
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.3
Synonyms	C15H21N3O2S3 DTXSID3022619 MolPort-027-720-533 ST24029261 (+-)-Arotinolol 5-(2-(3-(tert-butylamino)-2-hydroxypropylthio)thiazol-4-yl)thiophene-2-carboxamide Arotinolol (INN) CHEBI:135569 KB-243241 S 596 2-Thiophenecarboxamide, 5-(2-((3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)- 5-[2-[3-(tert-butylamino)-2-hydroxy-propyl]sulfanylthiazol-4-yl]thiophene-2-carboxamide AK129719 Arotinololum BDBM81885 LS-175382 SR-01000944984 ( -)-Arotinolol 5-(2-((3-((1,1-Dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)-2-thiophenecarboxamide 68377-91-3 (hydrochloride) API0013550 CAS_52560-77-7 FT-0601557 NSC-317940 2-(3'-tert-Butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole hydrochloride 5-(2-{[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl}-1,3-thiazol-4-yl)-2-thiophenecarboxamide AC1L1D8F Arotinolol [INN] CHEMBL93298 KS-00000FNX S-596 377A924 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide AKOS016014208 Arotinololum [Latin] C-21167 DB09204 LS-176661 SR-01000944984-1 (+-)-5-(2-((3-(tert-Butylamino)-2-hydroxypropyl)thio)-4-thiazolyl)-2-thiophenecarboxamide 5-(2-((3-(tert-Butylamino)-2-hydroxypropyl)thio)thiazol-4-yl)thiophene-2-carboxamide 68377-92-4 CC-24182 K136 NSC317940 2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-carbamoyl-2-thienyl)thiazole 5-[2-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}thio)-1,3-thiazol-4-yl]thiophene-2-carboxamide AC1Q5J3Z arotinolol, (+-)-isomer D07465 L013390 SCHEMBL80713 4CH-007040 52560-77-7 AN-38179 AX8114690 [ Show all ]
Inchi Key	BHIAIPWSVYSKJS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
PubChem CID	2239
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81885
DrugBank	DB09204
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	10.72 nM	PMID1968985	BindingDB

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