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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	BRD-K92093830-003-25-8 13171-EP2305642A2 10336-EP2292617A1 Resmycin Cantide + adriamycin 13171-EP2316832A1 10336-EP2298768A1 ThermoDox Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120 23214-92-8 10336-EP2302383A2 DOX-SL 45970-EP2287156A1 10336-EP2308562A2 Doxorubicin-hLL1 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 Doxorubicinum AC1Q29OJ 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 GTPL7069 Adriacin (hydrochloride salt) 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 JT9100000 Adriamycin semiquinone 13171-EP2292614A1 10336-EP2272832A1 NCGC00024415-35 AKOS015951330 13171-EP2298736A1 10336-EP2277865A1 NSC 123127 10336-EP2281815A1 Prestwick2_000438 C-23275 13171-EP2305689A1 10336-EP2295426A1 Rubex (TN) CHEBI:28748 13171-EP2316937A1 10336-EP2301536A1 UNII-80168379AG D07VLY 25311-50-6 10336-EP2305640A2 Doxorubicin (USAN/INN) 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 Doxorubicin-P4/D10 conjugate 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 EINECS 245-495-6 ADR 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 HY-15142A Adriamycin PFS (hydrochloride salt) 13171-EP2281815A1 10336-EP2270008A1 MCULE-4188577717 Adriblastina 13171-EP2295407A1 10336-EP2277566A2 NCGC00024415-40 BDBM22984 13171-EP2298768A1 BPBio1_000502 13171-EP2301933A1 10336-EP2292614A1 Probes2_000129 Caelyx (liposomal doxorubicin) 13171-EP2308861A1 10336-EP2298764A1 SMP1_000106 cid_443939 14D928 10336-EP2301933A1 DM2 29042-30-6 10336-EP2305679A1 Doxorubicin [USAN:INN:BAN] 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) Doxorubicine 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 FT-0601614 adriablastine (hydrochloride salt) 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 Hydroxydaunorubicin Adriamycin RDF (hydrochloride salt) 13171-EP2292227A2 10336-EP2270505A1 Myocet adriblatina (hydrochloride salt) 13171-EP2295416A2 10336-EP2277569A2 NCI-C01514 10336-EP2277876A1 Prestwick0_000438 BSPBio_000456 13171-EP2305671A1 10336-EP2295055A2 Rubex CC-23807 13171-EP2316833A1 10336-EP2298778A1 TLC D-99 CS-2759 23257-17-2 10336-EP2305243A1 Doxil 45970-EP2311807A1 10336-EP2308812A2 Doxorubicin-hLL1 conjugate 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 Doxorubicinum [INN-Latin] adiblastine (hydrochloride salt) 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 HMS2089H06 Adriamycin 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 LMPK13050001 Adriblas tina 13171-EP2292615A1 10336-EP2275420A1 NCGC00024415-37 AN-17965 13171-EP2298746A1 10336-EP2289892A1 Prestwick3_000438 C01661 13171-EP2308833A2 10336-EP2295427A1 SB21799 14-Hydroxydaunomycin 10336-EP2301538A1 ZINC3918087 D0VW5S 25316-40-9 10336-EP2305642A2 Doxorubicin citrate 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 Doxorubicina 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 Farmablastina (hydrochloride salt) adr iablatina (hydrochloride salt) 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 Hydroxydaunomycin hydrochlor ide (hydrochloride salt) Adriamycin PFS (TN) 13171-EP2286812A1 10336-EP2270014A1 MLS000028393 Adriblastina (hydrochloride salt) 13171-EP2295412A1 10336-EP2277567A1 NCGC00024415-41 BDBM32022 13171-EP2298772A1 BRD-K92093830-003-04-3 13171-EP2305640A2 10336-EP2292615A1 RDF Rubex Caelyx (TN) 13171-EP2311827A1 10336-EP2298765A1 SPBio_002395 Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74 10336-EP2302382A2 DOX 45970-EP2275413A1 10336-EP2305689A1 Doxorubicin(Adriamycin) 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 Doxorubicine [INN-French] AC1L1M5T 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 GR-319 adriablatina (hydrochloride salt) 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 Hydroxydaunorubicin hydrochloride (hydrochloride salt) Adriamycin RDF (TN) 13171-EP2292233A2 10336-EP2272827A1 Myocet (TN) Aerosolized Doxorubicin 13171-EP2298305A1 10336-EP2277570A2 NDC 38242-874 10336-EP2280012A2 Prestwick1_000438 BSPBio_001031 13171-EP2305679A1 10336-EP2295416A2 Rubex (hydrochloride salt) CCRIS 739 13171-EP2316834A1 10336-EP2298780A1 Triferric doxorubicin D03899 24385-08-8 10336-EP2305250A1 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 Doxorubicin-P4/D10 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 DTXSID8021480 ADM 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 HSDB 3070 Adriamycin PFS 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 LS-165655 Adriblastin 13171-EP2292617A1 10336-EP2277565A2 NCGC00024415-38 AOJJSUZBOXZQNB-TZSSRYMLSA-N 13171-EP2298748A2 13171-EP2298780A1 10336-EP2292280A1 Probes1_000151 Caelyx 13171-EP2308839A1 10336-EP2298748A2 SCHEMBL3243 CHEMBL53463 14-Hydroxydaunorubicine 10336-EP2301928A1 DB00997 25316-40-9 (hydrochloride) 10336-EP2305671A1 Doxorubicin hydrochloride (hydrochloride salt) 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 Doxorubicina [INN-Spanish] 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 FI 106 Adriablastin 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 Hydroxydaunomycin hydrochloride (hydrochloride salt) Adriamycin RDF 13171-EP2289892A1 10336-EP2270018A1 MolPort-006-124-025 Adriblastina (TN) 13171-EP2295413A1 10336-EP2277568A2 NCGC00024415-42 BP-23114 [ 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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