Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	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 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 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 DTXSID0022987 15206-EP2281815A1 Epirubicin (INN) 15206-EP2298748A2 Epirubicine [French] 15206-EP2305640A2 HSDB 6962 15206-EP2311825A1 NSC256942 4'-epi-Doxorubicin Pidorubicinum 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 Ellence (TN) 15206-EP2292617A1 EPIRUBICIN(Hydrochloride form) 15206-EP2298768A1 Epirubicinum [INN-Latin] 15206-EP2305689A1 LS-187190 15206-EP2311840A1 Pidorubicin 4'-Epiadriamycin 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 15206-EP2275420A1 Epidoxorubicin 15206-EP2295426A1 Epirubicina [Spanish] 15206-EP2301928A1 Farmorubicin (TN) 15206-EP2311453A1 NSC 256942 15206-EP2316833A1 Pidorubicine 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 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] 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-EP2270018A1 Epi-DX 15206-EP2295055A2 Epirubicina 15206-EP2298778A1 Epirubicinum [Latin] 15206-EP2308855A1 LS-93992 15206-EP2311842A2 Pidorubicina 4'-epidoxorubicin 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) 15206-EP2280012A2 15206-EP2295427A1 Epirubicine 15206-EP2301933A1 FT-0630692 15206-EP2311808A1 NSC-256942 3Z8479ZZ5X Pidorubicine [INN-French] 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 Ellence 15206-EP2292615A1 Epirubicin [INN:BAN] 15206-EP2298765A1 Epirubicinum 15206-EP2305671A1 IMI 28 15206-EP2311829A1 Pharmorubicin Pfs 4'-Epi-DXR [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
442111	5-hydroxytryptamine receptor 4	O70528	HTR4	Cavia porcellus (Guinea pig)	388

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218