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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

Ligand

Name	domperidone
Molecular formula	C22H24ClN5O2
IUPAC name	6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight	425.917
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.9
Synonyms	5-Chloro-1-(1-(3-(2-oxo-1-benzimidazolinyl)propyl)-4-piperidyl)-2-benzimidazolinone Domperidone, powder, >=98% (HPLC) 5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolyl)propyl]-4-piperidyl]benzimidazol-2-one DSSTox_RID_80682 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one GTPL965 808D669 HMS3370L03 AB00052423_09 KBio2_000871 BBC/763 L000230 BRD-K38305202-001-02-6 MLS000859942 Motinorm D0AV3G Nauzelin OD NCGC00014670-07 NCGC00014670-16 NCGC00021472-07 NSC-299589 Prestwick2_000461 s2461 Spectrum4_000087 Tox21_110056 DB01184 2H-Benzimidazol-2-one, 5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro- Domperidone (Motilium) 5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one DOMPERIDONE5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one 5-chloro-1-{1-[3(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one EINECS 260-968-7 HMS2093N22 99497-03-7 (maleate) HS-0067 AC-2037 KBioGR_000354 BDBM50241107 LP00427 BSPBio_002350 MolPort-003-666-773 Costi (TN) NCGC00014670-02 NCGC00014670-10 NCGC00021472-02 NCGC00261112-01 NSC759575 PubChem15679 SMR000058969 SR-01000003002-2 UNII-5587267Z69 Domperidona 5-(2,4-dihydroxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-2H-1,2,4-triazol-3(4H)-one Domperidone [USAN:INN:BAN:JAN] 5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one DSSTox_CID_25116 5-Chloro-1-{1-[3-(2-hydroxy-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-2,3-dihydro-1H-benzoimidazol-2-ol FT-0625588 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one HMS3261E16 AB00052423-07 I14-14161 AN-5531 KW 5338 BPBio1_000620 MFCD00069256 CD0227 Motillium D-122 NCGC00014670-05 NCGC00014670-13 NCGC00021472-05 NCIStruc1_001686 Prestwick0_000461 R-33,812 SpecPlus_000825 STK622843 ZX-AS004963 D4125 1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one Domperidone (JAN/USAN/INN) 5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one Domperidone,(S) 5-Chloro-1-[1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1- yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one DTXSID1045116 5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one HMS1922N04 83898-65-1 (maleate (1:1)) HMS3656M21 AB0110085 KBio2_003439 BBL028136 Lopac-D-122 BRD-K38305202-001-08-3 MLS001306482 CHEMBL219916 Motinorm (TN) NCGC00014670 NCGC00014670-08 NCGC00014670-17 NCGC00021472-08 NSC-759575 Prestwick3_000461 SC-18462 Spectrum_000391 Tox21_110056_1 DivK1c_006921 2H-Benzimidazol-2-one,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro- Domperidone 1.0 mg/ml in Methanol 5-chloro-1-(1-(3-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one Domperidonum 5-chloro-1-{1-[3-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one EU-0100427 5587267Z69 HMS2096C21 AB00052423 HY-B0411 AC1L1FAB KBioSS_000871 BG0172 LS-33301 CAS-57808-66-9 Motilium CS-2511 NCGC00014670-03 NCGC00014670-11 NCGC00021472-03 NCI299589 Opera_ID_616 R 33,812 SMR000326802 SR-01000003002-4 W-105440 Domperidona [INN-Spanish] 5-24-02-00402 (Beilstein Handbook Reference) Domperidone, European Pharmacopoeia (EP) Reference Standard 5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolinyl)propyl]-4-piperidyl]-2-benzimidazolinone DSSTox_GSID_45116 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one GP3849 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one HMS3269O13 AB00052423_08 KBio1_001865 ANW-42358 KW-5338 BPBio1_001185 MLS000069343 CHEBI:31515 Motillium (TN) D01745 NCGC00014670-06 NCGC00014670-14 NCGC00021472-06 NCIStruc2_001819 Prestwick1_000461 R-33812 SPECTRUM2300212 SW196931-3 2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)- Domperidone (JP17/USAN/INN) 5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one Domperidone,Motilium 5-chloro-1-[1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidine-4-yl]-1,3-dihydro-2H-benzimidazol-2-one; EBD46624 5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(domperidone) HMS2089C14 HMS3713C21 AB1009278 KBio2_006007 BCP28265 Lopac0_000427 BRN 0903774 MLS002222324 Costi Nauzelin NCGC00014670-01 NCGC00014670-09 NCGC00015306-01 NCGC00097773-01 NSC299589 Prestwick_794 SCHEMBL43729 SR-01000003002 Tox21_500427 Domperidon 4-(5-Chloro-2-oxo-1-benzimidazolinyl)-1-[3-(2-oxobenzimidazolinyl)propyl]piperidine Domperidone [USAN:BAN:INN:JAN] 5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]- 1,3-dihydro-2H-benzimidazol-2-one Domperidonum [INN-Latin] 5-chloro-1-{1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one FGXWKSZFVQUSTL-UHFFFAOYSA-N 57808-66-9 HMS2230N18 AB00052423-06 I01-0054 AKOS005555858 KS-00000PNZ Biomol-NT_000022 MCULE-4430288884 CCG-37870 Motilium (TN) CTK8B3352 NCGC00014670-04 NCGC00014670-12 NCGC00021472-04 NCI60_002512 Pharmakon1600-02300212 R 33812 SPBio_002501 SR-01000003002-7 ZINC4175569 [ Show all ]
Inchi Key	FGXWKSZFVQUSTL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
PubChem CID	3151
ChEMBL	CHEMBL219916
IUPHAR	965
BindingDB	50241107
DrugBank	DB01184
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2600.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1655.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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