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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	oxymetazoline
Molecular formula	C16H24N2O
IUPAC name	6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
Molecular weight	260.381
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.9
Synonyms	8VLN5B44ZY Nasivine (Salt/Mix) Afrin Cherry 12 Hour Nasal Spray NCGC00015766-06 AK113123 NCGC00022345-02 BRD-K16195444-003-16-1 Operil (TN) CC-33432 Oxymetazoline (INN) Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl- DSSTox_GSID_40691 Prestwick0_000224 Genasal Nasal Spray Up to 12 Hour Relief Iliadin 6-t-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol KBioSS_001531 Vicks Sinex 12 Hour Ultra Fine Mist for Sinus Relief SCHEMBL24301 Spectrum_001051 Lopac0_000903 AB00053513_14 NCGC00015766-01 Afrin Original 12 Hour Nose Drops NCGC00015766-09 BDBM30712 NCGC00022345-06 BSPBio_002145 Oximetazolinum Oxymetazolinum DivK1c_000567 Phenol, 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl- Duramist Plus Up To 12 Hour Nasal Decongestant Spray Prestwick3_000224 H-990 1491-59-4 KBio2_001531 6-tert-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol WYWIFABBXFUGLM-UHFFFAOYSA-N SPBio_002188 Tox21_110217 6-tert-Butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol Nafrine AC1L1IM1 NCGC00015766-04 Afrin, Dristan12-hrnasalspray, Ocuclear, Drixine NCGC00015766-13 BPBio1_000419 NINDS_000567 CAS-1491-59-4 oxymetazolina D08322 Oxymetozoline Drixoral Nasal Solution Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-(7CI,8CI) FT-0601532 HSDB 3143 3-[(4,5-Dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethylphenol KBio3_001645 Vicks Sinex SBI-0050878.P004 Spectrum4_000464 L000459 AB00053513-12 Navasin Afrin Extra Moisturizing 12 Hour Nasal Spray NCGC00015766-07 AKOS007930348 NCGC00022345-04 BRN 0886303 Oximetazolina CCG-204985 oxymetazoline hydrochloride crystalline DB00935 Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl- (9CI) DSSTox_RID_79545 Prestwick1_000224 GTPL124 KB-302508 6-tert-butyl-3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-2,4-dimethylphenol Visine L.R Sinerol STK075254 LS-104146 AB00053513_15 NCGC00015766-02 Afrin Original 12 Hour Pump Mist NCGC00015766-10 Biomol-NT_000161 Neo-Synephrine 12 Hour Spray C-16261 Oxylazine CHEMBL762 Oxymetazolinum [INN-Latin] Dristan Long Lasting Mentholated Nasal Spray Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl- EINECS 216-079-1 Hazol 2-(4-tert-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazoline KBio2_004099 6-tert-Butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol Tox21_110217_1 ZINC57435 Rhinofrenol Spectrum2_000998 6-tert-Butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol # Nasal Relief 12 Hour Nasal Spray Afrin NCGC00015766-05 AJ-09693 NCGC00015766-16 BRD-K16195444-001-01-7 Nostrilla 12 Hour Nasal Decongestant CAS-151615 D09EBS Phenol, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-6-(1,1-dimethylethyl)-2,4-dimethyl- DSSTox_CID_20691 Phenol,3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl- FT-0650596 IDI1_000567 KBioGR_000908 Vicks Sinex 12 Hour Nasal Spray SCH-9384 Spectrum5_001114 Lopac-O-2378 AB00053513-13 Navisin Afrin Original 12 Hour Nasal Spray NCGC00015766-08 AN-10265 NCGC00022345-05 BSPBio_000267 Oximetazolina [INN-Spanish] CHEBI:7862 Oxymetazoline [INN:BAN] Decongestant (TN) Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-(9CI) DTXSID3040691 Prestwick2_000224 H 990 KBio1_000567 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride Visine L.R. SPBio_001095 Tocris-1142 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride MCULE-8690625159 AC-6370 NCGC00015766-03 Afrin Sinus 12 Hour Nasal Spray NCGC00015766-11 BPBio1_000295 Nezeril C07363 oxymeta zoline cid_66259 Oxymethazoline Dristan Long Lasting Nasal Mist Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl- (7CI,8CI) FT-0082560 HMS2089G03 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-6-tert-butyl-phenol KBio2_006667 UNII-8VLN5B44ZY Rhinolitan Spectrum3_000533 [ Show all ]
Inchi Key	WYWIFABBXFUGLM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
PubChem CID	4636
ChEMBL	CHEMBL762
IUPHAR	124
BindingDB	30712
DrugBank	DB00935
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.26 nM	PMID7984267, PMID1315531	PDSP,BindingDB
Ki	0.3 nM	PMID9632357	BindingDB,ChEMBL
Ki	0.316228 nM	PMID9632357	IUPHAR
Response	40.0 %	PMID9632357	ChEMBL
Response	57.0 %	PMID9632357	ChEMBL

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