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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Alpha-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
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	CHEMBL315
IUPHAR	23
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	Spectrum_000444 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 SPBio_002337 Tox21_110117 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 Spectrum4_000350 WLN: T C676 BN & T & J B3N1 & 1 EG 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 STK534842 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 G-34586 Spectrum2_001729 Tox21_110117_1 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 Spectrum5_001235 ZINC20248 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 SPBio_001778 Tocris-0457 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 Spectrum3_001707 UNII-NUV44L116D 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 [ 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	132.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	73.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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