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

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	clenbuterol
Molecular formula	C12H18Cl2N2O
IUPAC name	1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
Molecular weight	277.189
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.2
Synonyms	Planipart AB00053680-12 SCHEMBL4722 BC200547 STJMRWALKKWQGH-UHFFFAOYSA-N BRD-A75726477-003-04-9 Contraspasmin (TN) DSSTox_CID_2833 FT-0665082 (+-)-clenbuterol KBio3_001829 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-ol NCGC00163150-01 4-Amino-3,5-dichloro-.alpha.-(((1,1-dimethylethyl)amino)methyl)benzenemethanol 4-Amino-alpha-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol Prestwick0_000345 AC1L1EGH Spectrum4_000743 Benzenemethanol, 4-amino-3,5-dichloro-?-[[(1,1-dimethylethyl)amino]methyl]- BSPBio_002609 Clenbuterol [BAN:INN] D0X5NX DTXSID7022833 IDI1_000794 (-)-4-amino-alpha-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol KBioSS_002044 1-(4-amino-3,5-dichlorophenyl)-2-[(1,1-dimethylethyl)amino]ethanol NCGC00163150-04 NINDS_000794 50499-60-0 Prestwick3_000345 AKOS007930151 Spectrum_001564 Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichloro- Clenbuterolum [INN-Latin] DivK1c_000794 FT-0665080 (+)-4-Amino-3,5-dichloro-alpha-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol KBio2_004612 1-(4-amino-3,5-dichloro-phenyl)-2-(tert-butylamino)ethanol NAB 365 37148-27-9 Planipart [veterinary] AB00053680_13 SPBio_002330 BDBM27958 Tox21_112016 BRN 1076467 Clenbuterol (INN) CTK1H4006 DSSTox_GSID_22833 FT-0701019 (+/-)-clenbuterol KBioGR_001066 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol NCGC00163150-02 4-Amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol 50306-01-9 Prestwick1_000345 ACM50306031 Spectrum4_001099 BENZENEMETHANOL, 4-AMINO-3,5-DICHLORO-alpha-(((1,1-DIMETHYLETHYL)AMINO)METHYL)- CAS-37148-27-9 Clenbuterol [INN:BAN] EINECS 253-366-0 KBio1_000794 (RS)-Clenbutero LS-30602 148C279 NCGC00163150-05 P 5369 AB00053680 SBI-0051858.P002 API0002046 SR-01000721909-2 BPBio1_000451 CHEMBL49080 Contraspasmin dl-Clenbuterol FT-0665081 (+)-4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol KBio2_007180 1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butylamino-ethanol NAB-365 4-Amino-.alpha.-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol 4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol Planipart [veterinary] (TN) AC-10284 Spectrum3_000975 Benzenemethanol, 4-amino-3,5-dichloro-.alpha.-[[(1,1-dimethylethyl)amino]methyl]- Tox21_112016_1 BSPBio_000409 clenbuterol (product) D07713 DSSTox_RID_76749 HMS2089I15 (-)-4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol KBioGR_001518 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol # NCGC00163150-03 50306-03-1 Prestwick2_000345 ACM50499600 Spectrum5_001497 Benzenemethanol,4-amino-3,5-dichloro-a-[[(1,1-dimethylethyl)amino]methyl]-,(as)- CHEBI:174690 Clenbuterolum DB01407 EINECS 256-529-4 KBio2_002044 Monores NCGC00163150-07 [ Show all ]
Inchi Key	STJMRWALKKWQGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
PubChem CID	2783
ChEMBL	CHEMBL49080
IUPHAR	N/A
BindingDB	27958
DrugBank	DB01407
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2652.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1515.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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