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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	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 NCGC00014670-05 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 NCGC00014670-13 FGXWKSZFVQUSTL-UHFFFAOYSA-N 57808-66-9 NCGC00021472-05 HMS2230N18 AB00052423-06 NCIStruc1_001686 I01-0054 AKOS005555858 Prestwick0_000461 KS-00000PNZ Biomol-NT_000022 R-33,812 MCULE-4430288884 CCG-37870 SpecPlus_000825 Motilium (TN) CTK8B3352 STK622843 Domperidon ZX-AS004963 5-Chloro-1-(1-(3-(2-oxo-1-benzimidazolinyl)propyl)-4-piperidyl)-2-benzimidazolinone NCGC00014670 Domperidone, powder, >=98% (HPLC) 5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolyl)propyl]-4-piperidyl]benzimidazol-2-one NCGC00014670-08 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 NCGC00014670-17 GTPL965 808D669 NCGC00021472-08 HMS3370L03 AB00052423_09 NSC-759575 KBio2_000871 BBC/763 Prestwick3_000461 L000230 BRD-K38305202-001-02-6 SC-18462 MLS000859942 Spectrum_000391 Motinorm D0AV3G Tox21_110056_1 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 NCGC00014670-03 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 NCGC00014670-11 EINECS 260-968-7 NCGC00021472-03 HMS2093N22 99497-03-7 (maleate) NCI299589 HS-0067 AC-2037 Opera_ID_616 KBioGR_000354 BDBM50241107 R 33,812 LP00427 BSPBio_002350 SMR000326802 MolPort-003-666-773 Costi (TN) SR-01000003002-4 DB01184 W-105440 2H-Benzimidazol-2-one, 5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro- 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 NCGC00014670-06 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 NCGC00014670-14 FT-0625588 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one NCGC00021472-06 HMS3261E16 AB00052423-07 NCIStruc2_001819 I14-14161 AN-5531 Prestwick1_000461 KW 5338 BPBio1_000620 R-33812 MFCD00069256 CD0227 SPECTRUM2300212 Motillium D-122 SW196931-3 Domperidona 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 NCGC00014670-01 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 NCGC00014670-09 DTXSID1045116 5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one NCGC00015306-01 HMS1922N04 83898-65-1 (maleate (1:1)) NCGC00097773-01 HMS3656M21 AB0110085 NSC299589 KBio2_003439 BBL028136 Prestwick_794 Lopac-D-122 BRD-K38305202-001-08-3 SCHEMBL43729 MLS001306482 CHEMBL219916 SR-01000003002 Motinorm (TN) D4125 Tox21_500427 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 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 NCGC00014670-04 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 NCGC00014670-12 EU-0100427 5587267Z69 NCGC00021472-04 HMS2096C21 AB00052423 NCI60_002512 HY-B0411 AC1L1FAB Pharmakon1600-02300212 KBioSS_000871 BG0172 R 33812 LS-33301 CAS-57808-66-9 SPBio_002501 Motilium CS-2511 SR-01000003002-7 DivK1c_006921 ZINC4175569 2H-Benzimidazol-2-one,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro- 5-24-02-00402 (Beilstein Handbook Reference) Nauzelin OD Domperidone, European Pharmacopoeia (EP) Reference Standard 5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolinyl)propyl]-4-piperidyl]-2-benzimidazolinone NCGC00014670-07 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 NCGC00014670-16 GP3849 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one NCGC00021472-07 HMS3269O13 AB00052423_08 NSC-299589 KBio1_001865 ANW-42358 Prestwick2_000461 KW-5338 BPBio1_001185 s2461 MLS000069343 CHEBI:31515 Spectrum4_000087 Motillium (TN) D01745 Tox21_110056 Domperidona [INN-Spanish] 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 NCGC00014670-02 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; NCGC00014670-10 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) NCGC00021472-02 HMS2089C14 NCGC00261112-01 HMS3713C21 AB1009278 NSC759575 KBio2_006007 BCP28265 PubChem15679 Lopac0_000427 BRN 0903774 SMR000058969 MLS002222324 Costi SR-01000003002-2 Nauzelin UNII-5587267Z69 2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)- [ 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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