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GLASS

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GPCR

Name	D(1A) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD1
Synonym	D1 receptor D1A DADR Gpcr15 dopamine D1 receptor Dopamine-1A receptor [ Show all ]
Disease	Unspecified Hypertension Pain Parkinson's disease Psychiatric disorder Psychotic disorders Schizophrenia Substance dependence Type 2 diabetes Excessive bleeding following childbirth and spontaneous or elective abortion Cocaine addiction Dementia Cognitive disorders [ Show all ]
Length	446
Amino acid sequence	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P21728
Protein Data Bank	N/A
GPCR-HGmod model	P21728
3D structure model	This predicted structure model is from GPCR-EXP P21728.
BioLiP	N/A
Therapeutic Target Database	T22118
ChEMBL	CHEMBL2056
IUPHAR	214
DrugBank	BE0000020

Ligand

Name	clomipramine
Molecular formula	C19H23ClN2
IUPAC name	3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Molecular weight	314.857
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.2
Synonyms	5-20-08-00103 (Beilstein Handbook Reference) KBio1_000797 5H-Dibenz[b, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro- Lopac-C-7291 AB00053695_16 NCGC00015264-02 Anafranil (free base) NCGC00015264-10 Biomol-NT_000151 NSC169865 BSPBio_003294 Prestwick3_000269 CHEMBL415 Clomipramine (INN) 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine DB01242 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine G 34586 Spectrum3_001707 UNII-NUV44L116D GTPL2398 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro- (8CI) KBio2_006060 MCULE-6443168248 ACM303491 NCGC00015264-05 API0002067 NCGC00024355-04 BRD-K52989797-001-01-1 PDSP1_000241 CAS-17321-77-6 SC-80642 cid_68539 Clomipraminum [INN-Latin] 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-dimethyl-amine;hydrochloride DSSTox_CID_2844 3-Chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine Spectrum_000444 303-49-1 Hydiphen 5H-Dibenz[b, 10,11-dihydro-3-chloro-5-[3-(dimethylamino)propyl]- KBioSS_000924 AB00053695-14 N-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,N-dimethylamine AKOS001487687 NCGC00015264-08 BDBM77970 NSC 169865 BRN 1323477 Prestwick1_000269 CHEBI:47780 Clomipramina [INN-Spanish] 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine;hydrochloride D0ZS8P 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine DTXSID6022844 SPBio_002337 Tox21_110117 G-34586 5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)- KBio2_000924 5H-Dibenz[b,f]azepine, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro- Lopac0_000307 AB05476 NCGC00015264-03 Anafranil (TN) NCGC00015264-13 BPBio1_000130 NUV44L116D C06918 PubChem17200 Chlomipramine Clomipramine [INN:BAN] 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine DivK1c_000797 3-chloro-10,11-dihydro-N,N-dimethyl-5H-Dibenz(b,f)azepine-5-propanamine Spectrum4_000350 WLN: T C676 BN & T & J B3N1 & 1 EG HMS3428J14 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-(8CI) KBio3_002514 83162-38-3 MolPort-002-051-949 AJ-08424 NCGC00015264-06 AX8246819 NCGC00024355-05 BRD-K52989797-003-05-8 PDSP2_000240 CAS-303-49-1 SCHEMBL35423 Clomicalm 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-5H-dibenz(b,f)azepine CLOMIPRIMINE 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine DSSTox_GSID_22844 3-Chloro-5-[3-(dimethylamino)propyl]-10,f]azepine STK534842 303C491 IDI1_000797 5H-Dibenz[b, 3-chloro-10,11-dihydro-N,N-dimethyl- L000890 AB00053695_15 NCGC00015264-01 AN-44193 NCGC00015264-09 BIDD:PXR0151 NSC-169865 BSPBio_000118 Prestwick2_000269 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine;hydrochloride 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE EINECS 206-144-2 Spectrum2_001729 Tox21_110117_1 GDLIGKIOYRNHDA-UHFFFAOYSA-N 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro- KBio2_003492 5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl- LS-60386 AC1L1EHZ NCGC00015264-04 Anafranil base NCGC00024355-02 BPBio1_000661 Oprea1_312582 C14H12ClN.C6H15N SBI-0050295.P003 Chlorimipramine (3-{5-chloro-2-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)dimethylamine Clomipraminum 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride DS-6718 3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine Spectrum5_001235 ZINC20248 HSDB 7746 5H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl- KBioGR_000759 AB00053695 Monochlorimipramine AK122641 NCGC00015264-07 BBL028455 NINDS_000797 BRD-K52989797-003-16-5 Prestwick0_000269 CCG-110307 Clomipramina 17321-77-6 (mono-hydrochloride) D07727 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine # DSSTox_RID_76755 3-Chloroimipramine SPBio_001778 Tocris-0457 [ Show all ]
Inchi Key	GDLIGKIOYRNHDA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
PubChem CID	2801
ChEMBL	CHEMBL415
IUPHAR	N/A
BindingDB	77970
DrugBank	DB01242
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	-4.5 %	PMID24088053	ChEMBL
IC50	1113.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Inhibition	99.0 %	PMID24088053	ChEMBL
Ki	219.0 nM	PMID9686407	PDSP,BindingDB
Ki	557.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Potency	183.6 nM	PubChem BioAssay data set	ChEMBL
Potency	2511.9 nM	PubChem BioAssay data set	ChEMBL

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