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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	DEXPROPRANOLOL
Molecular formula	C16H21NO2
IUPAC name	(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane NCGC00016429-06 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (R)- (9CI) PDSP2_001073 AB00514691 R(+)-propranolol BDBM60973 SPBio_002995 CAS-839971 ZINC20240 DB03322 Dextropropranolol FT-0650563 Intermigran (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol NCGC00015798-02 NCGC00016429-01 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol, (R)- NCGC00024814-02 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (R)- Prestwick1_001075 AKOS025212355 Reducorline BRD-K92830582-003-04-8 Tocris-0835 CHEMBL275742 Despropranolo [DCIT] DSSTox_GSID_45304 Inderal LA (TN) (+)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Lopac-P-8688 (R)-(+)-Propanolol hydrochloride (R)-Propranolol NCGC00016429-04 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)-(9CI) PDSP1_001089 5051-22-9 Propranolol (TN) Avlocardyl (TN) Servanolol CAS-318-98-9 UNII-9Y8NXQ24VQ component AQHHHDLHHXJYJD-CQSZACIVSA-N D-Propranolol Dexpropranololum EINECS 225-749-2 INDERIDE-80/25 (2R)-1-(isopropylamino)-3-(1-naphthoxy)propan-2-ol;hydrochloride MolPort-002-051-372 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol NCGC00024690-01 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+)- PG6KY07UD7 AC1L2HPB R,S-Propranolol Hydrochloride Betachron Sumial (TN) CHEBI:8736 Deralin (TN) Dociton (TN) GTPL7596 (+)-(r)-propranolol Kemi S (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride NCGC00015798-03 NCGC00016429-02 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol Obzidan 2R-Propranolol Prestwick2_001075 Anaprilinum (TN) SC-95481 C11193 Tox21_110435 cid_66366 DSSTox_RID_80790 Inderalici (TN) (+)-Propranolol LS-122411 (R)-(+)-propranolol (S)-(-)-PROPRANOLOL NCGC00016429-05 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (R)- PDSP2_000763 R (+)-Propanolol AY-20694 SMR000875288 CAS-5051-22-9 UNII-PG6KY07UD7 D04JEE Dexpropranololum [INN-Latin] etalong Innopran XL (TN) (2R)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol NCGC00015798-01 NCGC00015798-11 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol NCGC00024814-01 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2R)- Prestwick0_001075 AJ-08417 R-(+)-Propranolol BIDD:GT0130 Tocris-0624 Despropranolo DSSTox_CID_25304 Inderal (TN) (+)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol Lopac-P-0884 (2R)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol NCGC00016429-03 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-(9CI) PDSP1_000775 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol Propranolol (INN) AQHHHDLHHXJYJD-CQSZACIVSA-N SCHEMBL25255 CAS-13071-11-9 Tox21_110435_1 d-(+)-Propranolol Dexpropranolol [INN:BAN] DTXSID3045304 INDERIDE-40/25 (2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride MLS001333595 (R)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-CQSZACIVSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
PubChem CID	21138
ChEMBL	CHEMBL275742
IUPHAR	N/A
BindingDB	60973
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	169.82 nM	PMID3373482	ChEMBL
IC50	4880.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1700.0 nM	PMID2539480	ChEMBL
Ki	2789.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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