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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	Propranolol, L-
Molecular formula	C16H21NO2
IUPAC name	(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	NCGC00024813-03 Prestwick0_001081 SCHEMBL3956 1-propranolol AB00514695-07 Bio2_000840 BSPBio_001122 HMS1792D21 KBio3_000740 Levopropranolol NCGC00024813-06 Prestwick3_001075 UNII-74MLR03FLC (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol 4199-09-1 AJ-09309 BRD-K13994703-001-02-0 CHEMBL452861 IDI1_002115 NCGC00024813-01 PDSP1_000768 S-(-)-propanolol [2-Hydroxy-3-(naphthalen-1-yloxy)-propyl]-isopropyl-ammonium((-)-propranolol) 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol 74MLR03FLC BDBM50246936 BSPBio_001040 GTPL63 KBio2_005516 NCGC00024813-04 Prestwick1_001081 SPBio_003021 (-)-(S)-Propranolol 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)- AB00514695_08 BPBio1_001200 CCG-205103 HMS1990D21 KBioGR_000380 Lopac0_001023 NCGC00024813-07 Prestwick3_001081 UNII-9Y8NXQ24VQ component AQHHHDLHHXJYJD-AWEZNQCLSA-N (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol AQHHHDLHHXJYJD-AWEZNQCLSA-N BRD-K13994703-003-04-2 CTK4I5506 KBio2_000380 NCGC00024813-02 PDSP2_000756 SBI-0050996.P003 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol AB00514695 Bio2_000360 BSPBio_001090 HMS1362D21 KBio3_000739 NCGC00024813-05 Prestwick2_001081 Tocris-0834 (-)-propranolol 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2S)- AC1L3M9V BPBio1_001236 HMS2089B07 KBioSS_000380 LS-122524 NCGC00024813-08 ZINC56556 (S)-propranolol BCBcMAP01_000208 BRD-K13994703-003-10-9 EINECS 224-095-5 KBio2_002948 [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-AWEZNQCLSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
PubChem CID	91536
ChEMBL	CHEMBL452861
IUPHAR	63
BindingDB	50246936
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	4100.0 nM	PMID9435911	BindingDB,ChEMBL

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