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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

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	3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine;hydrochloride Spectrum3_001707 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE EINECS 206-144-2 UNII-NUV44L116D 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 Clomipraminum 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride DS-6718 Spectrum_000444 3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine 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 17321-77-6 (mono-hydrochloride) D07727 SPBio_002337 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine # DSSTox_RID_76755 Tox21_110117 3-Chloroimipramine 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 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine DB01242 Spectrum4_000350 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine G 34586 WLN: T C676 BN & T & J B3N1 & 1 EG 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) Clomipraminum [INN-Latin] 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-dimethyl-amine;hydrochloride DSSTox_CID_2844 STK534842 3-Chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine 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 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine;hydrochloride D0ZS8P Spectrum2_001729 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine DTXSID6022844 Tox21_110117_1 303-49-1 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] Clomipramine [INN:BAN] 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine DivK1c_000797 Spectrum5_001235 3-chloro-10,11-dihydro-N,N-dimethyl-5H-Dibenz(b,f)azepine-5-propanamine G-34586 ZINC20248 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 CLOMIPRIMINE SPBio_001778 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine DSSTox_GSID_22844 Tocris-0457 3-Chloro-5-[3-(dimethylamino)propyl]-10,f]azepine 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 [ 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
IC50	0.04 nM	PMID10447960	BindingDB,ChEMBL
IC50	99.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	15.5 nM	PMID11454918	BindingDB
Ki	40.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	51.4 nM	PMID2905001	BindingDB

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