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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	23981-80-8
Molecular formula	C14H14O3
IUPAC name	2-(6-methoxynaphthalen-2-yl)propanoic acid
Molecular weight	230.263
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50009860 CS-W009085 HMS2095I11 KS-00001PH5 MolPort-000-889-157 (RS)-2-(6-methoxynaphthalen-2-yl)propanoic acid NCGC00094733-01 2-(6-methoxy-2-naphtyl)propionic acid Proxine 2-naphthaleneacetic acid, 6-methoxy-alpha-methyl- SCHEMBL10029028 6-Methoxy-alpha-methyl-2-naphthaleneessigsaure TRA0033868 ACMC-209g7l AKOS016038194 BSPBio_000169 DL Naproxen HMS3712I11 M1220 (+)2-(6-methoxy-2-naphthyl) propionic acid Naproxen2-(6-Methoxy-naphthalen-2-yl)-propionic acid 1264273-58-6 Niaxan 2-(6-methoxynaphth-2-yl)-propionic acid racemic 2-(6-methoxy-2-naphthyl)propionic acid 4CH-007732 ST024763 AB00513799 ANW-25279 CHEMBL12952 FT-0638374 KB-163190 MLS006011863 (+/-)-6-METHOXY-ALPHA-METHYL-2-NAPHTHALENEACETIC A NCGC00021127-04 2-(6-Methoxy-2-naphthyl)propanoic acid, AldrichCPR Pranoxen 2-Naphthaleneacetic acid, 6-methoxy-.alpha.-methyl-, (.alpha.S)- SBB029869 6-methoxy-alpha-methyl-2-naphthalenacetic acid TC-114024 AC1Q5RT0 AK-40137 BPBio1_000187 CTK7A8174 HMS2230K21 LS-187192 (+)-(S)-6-Methoxy-a-methyl-2-naphthaleneacetic acid Naprosine (RS)-Naproxen NCGC00094733-02 2-(6-Methoxy-naphthalen-2-yl)-propionic acid Q-201030 SCHEMBL145769 6-methoxy-alpha-methyl-2-naphthylacetic acid [S(+)-2-(6-Methoxy-2-naphthyl)propionic acid] ALBB-027257 CCG-220045 DL-Naproxen I06-0050 MCULE-6293512671 (+/-)-2-(6-methoxy-2-naphthyl) propionic acid NCGC00021127-02 2-(6-methoxy-2-naphthyl)-propionic acid Oprea1_018821 2-(6-methoxynaphthalen-2-yl)propanoic acid Racemic Naproxen 6-methoxy-2-naphthyl-alpha-methylacetic acid ST24027595 AC-25684 AS-47598 CMWTZPSULFXXJA-UHFFFAOYSA-N H385 KS-00000H66 Mnpa (+/-)-6-Methoxy-alpha-methyl-2-naphthaleneacetic Acid NCGC00021127-05 2-(6-Methoxy-2-naphthyl)propionic acid Prestwick3_000045 2-Naphthaleneacetic acid, 6-methoxy-.alpha.-methyl-, (S)- SC-78606 6-methoxy-alpha-methyl-2-naphthaleneacetic acid TL8001846 ACMC-209ftj AKOS000121315 BRD-A87719232-001-02-4 DB-007955 HMS3374N03 M-7686 (+)-alpha-(6-methoxy-2-naphthyl)propionic acid Naproxen (racemic) NCGC00094733-03 2-(6-Methoxy-naphthalen-2-yl)-propionic acid(Naproxen) rac-naproxen 26159-31-9 SMR001233475 AB0013024 alpha-(6-Methoxy-2-naphthyl)propionic acid CHEBI:91939 EINECS 245-969-2 I14-106184 MLS002154184 (+/-)-2-(6-Methoxy-2-naphthyl)propionic Acid NCGC00021127-03 2-(6-Methoxy-2-naphthyl)propanoic acid Panoxen 2-(6-Methoxynaphthalene-2-yl)propanoic acid S(+)-6-methoxy-alpha-methyl-2-naphthaleneacetic acid) 6-methoxy-2naphthyl-alpha-methylacetic acid STK301546 AC1L1B6B [ Show all ]
Inchi Key	CMWTZPSULFXXJA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
PubChem CID	1302
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
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	http://pdsp.med.unc.edu/pdsp.php	PDSP

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