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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

Ligand

Name	SB 204741
Molecular formula	C14H14N4OS
IUPAC name	1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
Molecular weight	286.353
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.4
Synonyms	HMS3260D12 MFCD00923644 N-(1-METHYL-1H-INDOLYL-5-YL)-N''-(3-METHYL-5-ISOTHIAZOLYL)UREA NCGC00025129-01 S 0693 SR-01000075765 BCP28144 CHEMBL323356 KB-298203 N-(1-Methyl-1H-5-indolyl)-N inverted exclamation marka-(3-methyl-5-isothiazolyl)urea NCGC00015923-02 NCGC00260940-01 SB-204,741 Tocris-1372 1-(1-methyl-1H-indol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea A809277 C-18040 DTXSID80390956 GTPL221 Lopac0_000255 N-(1-Methyl-1H-indol-5-yl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-05 PDSP2_001564 SCHEMBL3377716 ZINC16912 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea API0007588 CHEBI:140936 HMS3369K08 MLS000862184 N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00025129-02 SR-01000075765-1 3-(3-METHYL-1,2-THIAZOL-5-YL)-1-(1-METHYLINDOL-5-YL)UREA BDBM84991 CTK8F0087 L000536 N-(1-Methyl-1H-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-03 NSC_3277600 SB-204741 Tox21_500255 1-(1-methyl-1H-indol-5-yl)-3-(3-methylisothiazol-5-yl)urea AC1MLYNA CAS_3277600 EU-0100255 HMS2231C03 LP00255 N-(1-Methyl-1H-indolyl-5-yl)-N''-(3-methyl-5-isothiazolyl) urea NCGC00015923-06 RTX-011453 SMR000326947 152239-46-8 B6708 J-008905 MolPort-003-959-484 NCGC00015923-01 NCGC00025129-03 SB 204741, >98% (HPLC) SR-01000075765-3 BRD-K15391446-001-11-0 D04AZE FT-0643481 Lopac-S-0693 N-(1-Methyl-1H-indo-5-yl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-04 PDSP1_001580 SB204741 ZB000747 1-(1-methyl-5-indolyl)-3-(3-methyl-5-isothiazolyl)urea AKOS024456556 CCG-204350 [ Show all ]
Inchi Key	USFUFHFQWXDVMH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
PubChem CID	3277600
ChEMBL	CHEMBL323356
IUPHAR	221
BindingDB	84991
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID8788493	PDSP,BindingDB

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