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GPCR

Name	P2Y purinoceptor 12
Species	Homo sapiens (Human)
Gene	P2RY12
Synonym	P2Y12 platelet ADP receptor P2Y12 receptor P2YADP purinergic receptor P2Y P2Y12 P2Y(cyc) P2Y(ADP) P2Y(AC) P2Y purinoceptor 12 P2T(AC) HORK3 ADPG-R ADP-glucose receptor SP1999 [ Show all ]
Disease	N/A
Length	342
Amino acid sequence	MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
UniProt	Q9H244
Protein Data Bank	4py0, 4pxz, 4ntj
GPCR-HGmod model	Q9H244
3D structure model	This structure is from PDB ID 4py0.
BioLiP	BL0272414,BL0272415, BL0276068, BL0276067, BL0276066, BL0272413
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2001
IUPHAR	328
DrugBank	BE0000110

Ligand

Name	doxorubicin
Molecular formula	C27H29NO11
IUPAC name	(7S,9S)-7-[(2R,4S,5S,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	10336-EP2305671A1 AB1009243 10336-EP2311453A1 (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-lyxo-hexopyranoside; Adriamycin; Doxorubicin 10336-EP2316452A1 (7S,9S)-7-[(2R,4S,5S,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;hydrochloride 13171-EP2270008A1 (8S-cis)-10-(3-Amino-2,3,6-Tr ideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxy-5,12-Naphthacenedione 13171-EP2289892A1 10336-EP2270018A1 13171-EP2295413A1 10336-EP2277568A2 13171-EP2298780A1 10336-EP2292280A1 13171-EP2308839A1 10336-EP2298748A2 14-Hydroxydaunorubicine 10336-EP2301928A1 25316-40-9 (hydrochloride) MLS000028393 Adriblastina (hydrochloride salt) NCGC00024415-41 BDBM32022 Prestwick3_000438 C01661 SB21799 ZINC3918087 D0VW5S Doxorubicin citrate Doxorubicina Farmablastina (hydrochloride salt) adr iablatina (hydrochloride salt) Hydroxydaunomycin hydrochlor ide (hydrochloride salt) Adriamycin PFS (TN) 10336-EP2308562A2 10336-EP2311825A1 (7S,9R)-7-[(2S,4S,5S,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 10336-EP2316834A1 (8S,10S)-10-(((2R,4S,5S,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 13171-EP2275102A1 1,2,3,4,6,11-Hexahydro-4beta,5,12-trihydroxy-4-(hydroxyacetyl)-10-methoxy-6,11-dioxonaphthacen-1beta-yl-3-amino-2,3,6-trideoxy-alpha-L-lyxohexopyranoside 13171-EP2292614A1 10336-EP2272832A1 13171-EP2298736A1 10336-EP2277865A1 13171-EP2305642A2 10336-EP2292617A1 13171-EP2316832A1 10336-EP2298768A1 23214-92-8 10336-EP2302383A2 45970-EP2287156A1 Adriamycin RDF (TN) Myocet (TN) Aerosolized Doxorubicin NDC 38242-874 BRD-K92093830-003-04-3 RDF Rubex Caelyx (TN) SPBio_002395 Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74 DOX Doxorubicin(Adriamycin) Doxorubicine [INN-French] AC1L1M5T GR-319 adriablatina (hydrochloride salt) Hydroxydaunorubicin hydrochloride (hydrochloride salt) 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)- 10336-EP2308855A1 (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-lyxo-hexopyranoside 10336-EP2311840A1 (7S,9S)-7-[(2R,4S,5S,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 13171-EP2269989A1 (8S,10S)-10-{[(2R,4S,5S,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 13171-EP2281815A1 10336-EP2270008A1 13171-EP2295407A1 10336-EP2277566A2 13171-EP2298768A1 10336-EP2281815A1 13171-EP2305689A1 10336-EP2295426A1 13171-EP2316937A1 10336-EP2301536A1 25311-50-6 10336-EP2305640A2 Adriblastin NCGC00024415-38 AOJJSUZBOXZQNB-TZSSRYMLSA-N Prestwick1_000438 BSPBio_001031 Rubex (hydrochloride salt) CCRIS 739 Triferric doxorubicin D03899 Doxorubicin-P4/D10 DTXSID8021480 ADM HSDB 3070 Adriamycin PFS LS-165655 10336-EP2305679A1 10336-EP2311455A1 (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-(3-amino-2,3,6-tridesoxy-alpha-L-lyxo-hexopyranosid) 10336-EP2316832A1 (7S,9S)-7-[[(2R,4S,5S,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;hydrochloride 13171-EP2270018A1 (8S-cis)-10-(3-Amino-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxy-5,12-Naphthacenedione 13171-EP2292227A2 10336-EP2270505A1 13171-EP2295416A2 10336-EP2277569A2 13171-EP2301933A1 10336-EP2292614A1 13171-EP2308861A1 10336-EP2298764A1 14D928 10336-EP2301933A1 29042-30-6 MolPort-006-124-025 Adriblastina (TN) NCGC00024415-42 BP-23114 Probes1_000151 Caelyx SCHEMBL3243 CHEMBL53463 DB00997 Doxorubicin hydrochloride (hydrochloride salt) Doxorubicina [INN-Spanish] FI 106 Adriablastin Hydroxydaunomycin hydrochloride (hydrochloride salt) Adriamycin RDF 45970-EP2311807A1 10336-EP2308812A2 10336-EP2311827A1 (7S,9S)-7-[(2R,4S,5S,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 10336-EP2371811A2 (8S,10S)-10-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione 13171-EP2277865A1 10-((3-Amino-2,3,6-trideoxy-alpha-L-lyso-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione 13171-EP2292615A1 10336-EP2275420A1 13171-EP2298746A1 10336-EP2277876A1 13171-EP2305671A1 10336-EP2295055A2 13171-EP2316833A1 10336-EP2298778A1 23257-17-2 10336-EP2305243A1 Adriamycin semiquinone NCGC00024415-35 AKOS015951330 NSC 123127 BRD-K92093830-003-25-8 Resmycin Cantide + adriamycin ThermoDox Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120 DOX-SL Doxorubicin-hLL1 Doxorubicinum AC1Q29OJ GTPL7069 Adriacin (hydrochloride salt) JT9100000 80168379AG 10336-EP2308861A1 (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-lyxo-hexopyranoside 10336-EP2311842A2 (7S,9S)-7-[(2R,4S,5S,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;hydrochloride 13171-EP2269994A1 (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione 13171-EP2286812A1 10336-EP2270014A1 13171-EP2295412A1 10336-EP2277567A1 13171-EP2298772A1 10336-EP2289892A1 13171-EP2308833A2 10336-EP2295427A1 14-Hydroxydaunomycin 10336-EP2301538A1 25316-40-9 10336-EP2305642A2 MCULE-4188577717 Adriblastina NCGC00024415-40 BDBM22984 Prestwick2_000438 C-23275 Rubex (TN) CHEBI:28748 UNII-80168379AG D07VLY Doxorubicin (USAN/INN) Doxorubicin-P4/D10 conjugate EINECS 245-495-6 ADR HY-15142A Adriamycin PFS (hydrochloride salt) 10336-EP2305689A1 10336-EP2311808A1 (1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside 10336-EP2316833A1 (8S,10S)-10-(((2R,4S,5S,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-tetrahydrotetracen 13171-EP2270505A1 (8S-cis)-10-[(3-Amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione 13171-EP2292233A2 10336-EP2272827A1 13171-EP2298305A1 10336-EP2277570A2 13171-EP2305640A2 10336-EP2292615A1 13171-EP2311827A1 10336-EP2298765A1 10336-EP2302382A2 45970-EP2275413A1 Myocet adriblatina (hydrochloride salt) NCI-C01514 BPBio1_000502 Probes2_000129 Caelyx (liposomal doxorubicin) SMP1_000106 cid_443939 DM2 Doxorubicin [USAN:INN:BAN] Doxorubicine FT-0601614 adriablastine (hydrochloride salt) Hydroxydaunorubicin Adriamycin RDF (hydrochloride salt) 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)- 10336-EP2308833A2 10336-EP2311829A1 (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride 10336-EP2374454A1 (8S,10S)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione 13171-EP2277876A1 10-((3-Amino-2,3,6-trideoxy-D-lyxohexopyranosyl)oxy)-8-glycolcyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione 13171-EP2292617A1 10336-EP2277565A2 13171-EP2298748A2 10336-EP2280012A2 13171-EP2305679A1 10336-EP2295416A2 13171-EP2316834A1 10336-EP2298780A1 24385-08-8 10336-EP2305250A1 Adriblas tina NCGC00024415-37 AN-17965 Prestwick0_000438 BSPBio_000456 Rubex CC-23807 TLC D-99 CS-2759 Doxil Doxorubicin-hLL1 conjugate Doxorubicinum [INN-Latin] adiblastine (hydrochloride salt) HMS2089H06 Adriamycin LMPK13050001 [ Show all ]
Inchi Key	AOJJSUZBOXZQNB-TZSSRYMLSA-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	31703
ChEMBL	CHEMBL53463
IUPHAR	N/A
BindingDB	22984
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
Inhibition	7.0 %	PMID19463000	ChEMBL
Ki	<10000.0 nM	PMID19463000	BindingDB,ChEMBL

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