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GPCR

Name	5-hydroxytryptamine receptor 4
Species	Cavia porcellus (Guinea pig)
Gene	HTR4
Synonym	5-HT-4 5-HT4 Serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	388
Amino acid sequence	MDKLDANVSSKEGFGSVEKVVLLTFLSAVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWVYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHARQIQVLQRAGAPAEGRPQPADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQLWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDTVECGGQWESQCHPAASSPLVAAQPIDT
UniProt	O70528
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	CHEMBL5017
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Epirubicin
Molecular formula	C27H29NO11
IUPAC name	(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular weight	543.525
Hydrogen bond acceptor	12
Hydrogen bond donor	6
XlogP	1.3
Synonyms	15206-EP2270018A1 Epi-DX 15206-EP2295055A2 Epirubicina 15206-EP2298778A1 Epirubicinum [Latin] 15206-EP2308855A1 LS-93992 15206-EP2311842A2 Pidorubicina 4'-epidoxorubicin SCHEMBL8582 57918-25-9 AC1Q6JIV BRN 1445813 (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione D07901 15206-EP2280012A2 15206-EP2295427A1 Epirubicine 15206-EP2301933A1 FT-0630692 15206-EP2311808A1 NSC-256942 3Z8479ZZ5X Pidorubicine [INN-French] 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)- VA10821 AB00698552-13 AKOS027327569 CHEBI:47898 (7S,9S)-7-[[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Doxorubicin-13CD3 (discontinued) Ellence 15206-EP2292615A1 Epirubicin [INN:BAN] 15206-EP2298765A1 Epirubicinum 15206-EP2305671A1 IMI 28 15206-EP2311829A1 Pharmorubicin Pfs 4'-Epi-DXR Ridorubicin 56390-09-1 (hydrochloride) AB00698552_16 BDBM43839 (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside CS-2824 15206-EP2269994A1 15206-EP2272827A1 Epiadriamycin 15206-EP2295416A2 Epirubicina [INN-Spanish] 15206-EP2298780A1 Farmorubicin 15206-EP2308861A1 NCGC00263918-04 15206-EP2316832A1 Pidorubicina [INN-Spanish] 4'-Epidoxorubicin\|\|\|4'-Epiadriamycin\|\|\|(8S,10S)-10-(((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione Triferric doxorubicin A831042 Acid, 8 C11230 (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione D0C9XJ DTXSID0022987 15206-EP2281815A1 Epirubicin (INN) 15206-EP2298748A2 Epirubicine [French] 15206-EP2305640A2 HSDB 6962 15206-EP2311825A1 NSC256942 4'-epi-Doxorubicin Pidorubicinum 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)- WP 697 AB00698552-14 AN-40147 (8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione Ellence (TN) 15206-EP2292617A1 EPIRUBICIN(Hydrochloride form) 15206-EP2298768A1 Epirubicinum [INN-Latin] 15206-EP2305689A1 LS-187190 15206-EP2311840A1 Pidorubicin 4'-Epiadriamycin SBI-0206890.P001 56420-45-2 AC1L26NP BRD-K04548931-003-16-5 (7S,9R)-7-[(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CTK8F9465 15206-EP2270008A1 15206-EP2275420A1 Epidoxorubicin 15206-EP2295426A1 Epirubicina [Spanish] 15206-EP2301928A1 Farmorubicin (TN) 15206-EP2311453A1 NSC 256942 15206-EP2316833A1 Pidorubicine 4-Epidoxorubicin UNII-3Z8479ZZ5X AB00698552-11 AK326115 CCRIS 2261 (7S,9S)-7-[(2R,4S,5R,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione DB00445 Ebewe (TN) 15206-EP2289892A1 Epirubicin (TN) 15206-EP2298764A1 Epirubicine [INN-French] 15206-EP2305642A2 HY-13624 15206-EP2311827A1 Pharmorubicin (TN) 4'-epi-DX Pidorubicinum [INN-Latin] 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)- ZINC3938704 AB00698552_15 AOJJSUZBOXZQNB-VTZDEGQISA-N (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside CHEMBL417 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-(8S-cis)-5,12-naphthacenedione [ Show all ]
Inchi Key	AOJJSUZBOXZQNB-VTZDEGQISA-N
Inchi ID	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
PubChem CID	41867
ChEMBL	CHEMBL417
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7935.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1323.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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