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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	MLS002245100
Molecular formula	C19H21ClN4O3
IUPAC name	N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
Molecular weight	388.852
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.9
Synonyms	ZINC8038245 N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide 3-[[anilino(oxo)methyl]amino]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpropanamide HMS3044I22 SMR001308765 AKOS033969619 MolPort-004-153-983 CHEMBL1699232 N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide 879138-60-0 MCULE-6367844649 Z26604904 BDBM96816 N-[2-(2-chloroanilino)-2-keto-ethyl]-N-methyl-3-(phenylcarbamoylamino)propionamide cid_16292840 N-{[(2-chlorophenyl)carbamoyl]methyl}-N-methyl-3-[(phenylcarbamoyl)amino]propanamide [ Show all ]
Inchi Key	BWBWSSQSBXNODV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN4O3/c1-24(13-17(25)23-16-10-6-5-9-15(16)20)18(26)11-12-21-19(27)22-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,23,25)(H2,21,22,27)
PubChem CID	16292840
ChEMBL	CHEMBL1699232
IUPHAR	N/A
BindingDB	96816
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	125892.0 nM	PubChem BioAssay data set	ChEMBL

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