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GLASS

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

Name	Parathyroid hormone/parathyroid hormone-related peptide receptor
Species	Homo sapiens (Human)
Gene	PTH1R
Synonym	PTH1 receptor PTHR PTH/PTHrP type I receptor PTH/PTHr receptor PPR Parathyroid hormone 1 receptor PTHR1 [ Show all ]
Disease	N/A
Length	593
Amino acid sequence	MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
UniProt	Q03431
Protein Data Bank	6fj3, 3h3g, 3c4m
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 6fj3.
BioLiP	BL0161387, BL0433539,BL0433540, BL0161388, BL0143680,BL0143682, BL0143681,BL0143683
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1793
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	S(-)-Pindolol
Molecular formula	C14H20N2O2
IUPAC name	(2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	248.326
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	ZINC56645 (S)-(-)-pindolol 328P110 BRD-K95598440-001-03-6 EU-0100349 Lopac0_000349 NCGC00024973-03 SR-01000075488-1 SR-01000597475-1 (-)-pindolol ACM26328110 HMS2231C09 MLS001056774 NCGC00261034-01 S-(-)-Pindolol UNII-BJ4HF6IU1D component JZQKKSLKJUAGIC-NSHDSACASA-N (2S)-1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol 2-propanol,1-(1h-indol-4-yloxy)-3-[(1-methylethyl)amino]-,(2s)- B6575 E34B58KY5W J-016382 NCGC00024973-01 PDSP2_000731 SMR000326991 (S)-1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol CCG-204444 EU-0101027 Lopac0_001027 NCGC00024973-04 S(-)-Pindolol, solid SR-01000075488-2 Tocris-1060 (2S)-1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol 2-Propanal, 1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)-, (S)- AKOS024456358 CHEMBL117405 HMS3261E19 MolPort-003-959-160 P-152 SB17015 UNII-E34B58KY5W (2S)-1-(1H-indol-4-yloxy)-3-[(propan-2-yl)amino]propan-2-ol 26328-11-0 BDBM50072755 espindolol KB-267891 NCGC00024973-02 Pindolol, (S)- SR-01000075488 SR-01000597475 (S)-pindolol AC1LELBQ CHEBI:48281 GTPL127 LP00349 NCGC00024973-05 S(?)-Pindolol Tox21_500349 (2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol 2-Propanal,1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)-,(S)- API0005632 CTK8F2100 HMS3267E06 mt-102 PDSP1_000743 SCHEMBL5220 [ Show all ]
Inchi Key	JZQKKSLKJUAGIC-NSHDSACASA-N
Inchi ID	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/t11-/m0/s1
PubChem CID	688095
ChEMBL	CHEMBL117405
IUPHAR	127
BindingDB	50072755
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	50118.7 nM	PubChem BioAssay data set	ChEMBL

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