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GLASS

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GPCR

Name	D(4) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD4
Synonym	D4 receptor D4R Dopamine D4 receptor dopamine receptor 4 d(2C) dopamine receptor
Disease	Erectile dysfunction Psychotic disorders Schizophrenia
Length	467
Amino acid sequence	MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProt	P21917
Protein Data Bank	5wiv, 5wiu
GPCR-HGmod model	P21917
3D structure model	This structure is from PDB ID 5wiv.
BioLiP	BL0394824, BL0394826, BL0394825
Therapeutic Target Database	T24983
ChEMBL	CHEMBL219
IUPHAR	217
DrugBank	BE0009376, BE0000389

Ligand

Name	BENPERIDOL
Molecular formula	C22H24FN3O2
IUPAC name	3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight	381.451
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	gamma-[4-(2-oxo-1-benzimidazolinyl)-piperidino]-p-fluorobutyrophenone 2H-Benzimidazol-2-one, {1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro-} HMS3713B09 5-24-02-00375 (Beilstein Handbook Reference) MCULE-4111012284 97O6X78C53 NSC-170982 Anquil Prestwick2_000484 Benperidol (USAN/INN) SPBio_002268 Benzeridol WLN: T56 BMVNJ D- DT6NTJ A3VR DF C22H24FN3O2 Concilium 1-[1-[3-(p-fluorobenzoyl)propyl]-4-piperidyl]-2-benzimidazolinone DSSTox_RID_80827 2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-4-piperidyl]- 2-Benzimidazolinone, {1-[1-[3-(p-fluorobenzoyl)propyl]-4-piperidyl]-,} hydrochloridemonohydrate GTPL9215 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperidin-4-yl]-1H-benzimidazol-2-one KS-1335 8089 C. B. NCGC00016602-01 AC-12200 NSC_16363 Anquil hydrochloride R 4584 Benperidolo ST50993924 Benzperidol hydrochloride CB 8089 1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one D0X7QQ 1-{1-(3-(p-Fluorobenzoyl)propyl)-4-piperidyl}-2-benzimidazolinone FEBOTPHFXYHVPL-UHFFFAOYSA-N Frenactyl hydrochloride 2H-Benzimidazol-2-one, 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl)-1,3-dihydro- HMS2235H20 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one McN-JR 4584 NSC 170982 AKOS016339645 Prestwick0_000484 BDBM81492 SCHEMBL122650 Benperidolum [INN-Latin] UNII-97O6X78C53 BRN 0900981 1-1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl-2-benzimidazolinone DSSTox_CID_25364 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1h-benzo[d]imidazol-2(3h)-one Glianimon 2H-Benzimidazol-2-one,1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro- KB-151621 MLS002153837 983-42-6 NSC169873 Anquil (TN) Prestwick3_000484 Benperidol hydrochloride SR-01000841254 Benzoperidol ZINC9232411 CAS-2062-84-2 062B842 CTK4E4730 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]-3H-benzoimidazol-2-one DTXSID7045364 2-Benzimidazolinone, hydrochloride 2-Benzimidazolinone, {1-[1-[3-(p-fluorobenzoyl)propyl]-4-piperidyl]-} HMS1569B09 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidyl]-1H-benzimidazol-2-one L000947 8089 C.B NCGC00016602-02 AC1L27SU PDSP1_000835 API0001507 R-4584 Benperidolo [DCIT] Tox21_110517 BPBio1_000383 CCG-220484 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one DB-045313 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidyl}-3-hydrobenzimidazol-2-one Frenactil FT-0634013 2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro- HMS3374B03 4'-Fluor-4-(4-(2-oxo-1-benzimidazolinyl)piperidino)butyrophenon McN-JR-4584 NSC-169873 AN-50195 Prestwick1_000484 SMR001233200 Benquil VZ21069 BSPBio_000347 CHEMBL297302 1-[1-[3-(p-Fluorbenzoyl)propyl]-4-piperidyl]-2-benzimidazolinon DSSTox_GSID_45364 2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)- 2-Benzimidazolinone, hydrochloridemonohydrate Glianimon mite 2H-Benzimidazol-2-one,3-dihydro-, monohydrochloride KS-00002WVI 8089 C. B MolPort-019-993-885 A814756 NSC170982 Anquil (VAN) Prestwick_778 Benperidol [USAN:INN:BAN] SR-01000841254-2 Benzperidol {1-1-[3-(p-Fluorobenzoyl)propyl]-4-piperidyl-2-benzimidazolinone} CAS_2062-84-2 1-(1-(3-(p-Fluorobenzoyl)propyl)-4-piperidyl)-2-benzimidazolinone D02627 1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one EINECS 218-172-2 2062-84-2 HMS2096B09 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1H-benzimidazol-2-one LS-33249 8089 C.B. NCGC00016602-04 AC1Q4NJZ PDSP2_000822 BDBM50183266 SC-75880 Benperidolum Tox21_110517_1 BRD-K79425933-001-03-6 CHEBI:93403 1-1-(3-(p-Fluorobenzoyl)propyl)-4-piperidyl-2-benzimidazolinone DB12867 1-{1-[4-(4-Fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1H-benzo[d] imidazol-2(3H)-one Frenactyl [ Show all ]
Inchi Key	FEBOTPHFXYHVPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
PubChem CID	16363
ChEMBL	CHEMBL297302
IUPHAR	9215
BindingDB	81492, 50183266
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	0.066 nM	PMID27364609	BindingDB
Ki	0.066 nM	PMID9577836	IUPHAR
Ki	0.066 nM	PMID9577836, PMID27364609	PDSP,BindingDB,ChEMBL

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