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GLASS

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

Name	5-hydroxytryptamine receptor 4
Species	Homo sapiens (Human)
Gene	HTR4
Synonym	5-HT-4 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled 5-HT4 receptor 5-HT4 serotonin receptor 4
Disease	N/A
Length	388
Amino acid sequence	MDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAHQIQMLQRAGASSESRPQSADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDAVECGGQWESQCHPPATSPLVAAQPSDT
UniProt	Q13639
Protein Data Bank	N/A
GPCR-HGmod model	Q13639
3D structure model	This predicted structure model is from GPCR-EXP Q13639.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1875
IUPHAR	9
DrugBank	BE0000084

Ligand

Name	cisapride
Molecular formula	C23H29ClFN3O4
IUPAC name	4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
Molecular weight	465.95
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.4
Synonyms	BDBM50388686 CHEMBL74656 HMS3713E22 Z2471178869 BSPBio_000420 cis-4-amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl}-2-methoxybenzamide Prestwick3_000430 098C604 AC1NSJW8 AKOS015888115 CHEBI:93034 HMS2096E22 SMR001233179 4-Amino-5-chloro-N-{(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide BPBio1_000462 cis-4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide MLS002153807 ZINC4215367 (+/-)-cis-4-Amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxybenzamide 81098-60-4 CAS-81098-60-4 Rel-Cisapride 4-Amino-5-chloro-N-((3R,4S)-1-(3-(4-fluorophenoxy)propyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide AC1Q41E3 API0006618 HMS2234H05 UNII-UVL329170W component DCSUBABJRXZOMT-RBBKRZOGSA-N 4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl]-3-methoxy-piperidin-4-yl}-2-methoxy-benzamide BRD-K59163477-001-02-1 cis-4-amino-5-chloro-N-[1-[3-(4fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide NCGC00016944-01 (?)-Cisapride AB00513837 AJ-48970 CCG-220430 DCSUBABJRXZOMT-RBBKRZOGSA-N SCHEMBL1759279 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide [ Show all ]
Inchi Key	DCSUBABJRXZOMT-RBBKRZOGSA-N
Inchi ID	InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1
PubChem CID	5311047
ChEMBL	CHEMBL74656
IUPHAR	N/A
BindingDB	50388686
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	19.95 nM	PMID22683222	ChEMBL
EC50	79.43 nM	PMID23756062, PMID22959244	ChEMBL
IC50	483.0 nM	PMID26761776	BindingDB,ChEMBL
Intrinsic activity	71.0 %	PMID23756062	ChEMBL
Intrinsic activity	71.0 -	PMID22959244	ChEMBL
Intrinsic activity	117.0 %	PMID22683222	ChEMBL
Ki	100.0 nM	PMID22683222, PMID22959244, PMID23756062	BindingDB,ChEMBL
Ki	125.89 nM	PMID23756062	ChEMBL

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