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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	piribedil
Molecular formula	C16H18N4O2
IUPAC name	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
Molecular weight	298.346
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.8
Synonyms	Piribedilum [INN-Latin] BCP10553 Pyrimidine, 2-(4-piperonyl-1-piperazinyl)- BSPBio_001019 SR-01000076091-11 UNII-DO22K1PRDJ DO22K1PRDJ ET-495 Jsp000012 1-(2-Pyrimidyl)-4-piperonylpiperazine MCULE-1529810865 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine NCGC00015857-07 78213-63-5 (mono-hydrochloride) OQDPVLVUJFGPGQ-UHFFFAOYSA-N AJ-73947 AN-15613 Prestwick1_000980 BPBio1_001121 R416 CAS-78213-63-5 Tox21_110245 CTK5E5513 DSSTox_RID_80735 FT-0610865 KS-00000MQZ 2-(4-(3,4-Methylenedioxybenzyl)piperazino)pyrimidine NCGC00015857-02 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine NCGC00024951-02 AB00514645-19 Piribedil (INN) Piribedile [DCIT] BAS 00638885 PubChem18226 BRD-K47936004-003-03-1 SPBio_002930 CCG-205045 Trivastal (TN) ES-0016 HY-12707 Lopac0_000965 2-(4-Piperonyl-1-piperazinyl)-Pyrimidine NCGC00015857-05 52293-23-9 (mesylate) Oprea1_061309 AC1L1J3H AK115468 Piribendyl BDBM85092 Pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]- Cambridge id 5268291 STL497889 CHEMBL1371770 Z31240640 DSSTox_CID_25188 EU 4200 K-0055 1-(3,4-Methylenedioxybenzyl)-4-(2-pyrimidyl)piperazine MolPort-001-900-168 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine NCGC00015857-09 P2054 API0004731 Prestwick2_000980 BPBio1_001269 SBI-0050938.P002 CAS_3605-01-4 Tox21_110245_1 D07305 DTXSID9045188 GTPL49 L000476 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)pyrimidine NCGC00015857-03 3605-01-4 NCGC00024951-03 AB1006701 Piribedil [INN:DCF] Piribedilum BC201086 Pyrimidine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)- BRN 0963637 SR-01000076091 CHEBI:92833 Trivastan DB12478 ET 495 J10201 1-(2-Pyrimidyl)-4-(3,4-methylenedioxybenzyl)piperazine LS-135515 2-(4-Piperonyl-1-piperazinyl)pyrimidine NCGC00015857-06 605P014 Oprea1_215383 AC1Q6ZYE AKOS001309525 Prestwick0_000980 Biomol-NT_000044 Pyrimidine,2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-, hydrochloride (1:1) CAS-3605-01-4 Tocris-1031 CS-8014 ZINC19537374 DSSTox_GSID_45188 EU-4200 KB-166579 2-(4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)pyrimidine NCGC00015857-01 2-[4-(3,4-methylenedioxybenzyl)piperazino]pyrimidine NCGC00024951-01 AB00514645 Piribedile AX8069130 Prestwick3_000980 BRD-K47936004-001-01-9 SCHEMBL150101 CC-33826 Trivastal D07GXY EINECS 222-764-6 HMS2089M17 Lopac-P-9233 2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-pyrimidine NCGC00015857-04 NSC_4850 AC-1051 [ Show all ]
Inchi Key	OQDPVLVUJFGPGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
PubChem CID	4850
ChEMBL	CHEMBL1371770
IUPHAR	49
BindingDB	85092
DrugBank	DB12478
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	PMID12388666	PDSP,BindingDB

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