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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
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	CHEMBL3459
IUPHAR	2
DrugBank	N/A

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	13171-EP2308833A2 MLS000028393 10336-EP2295427A1 Adriblastina (hydrochloride salt) 14-Hydroxydaunomycin NCGC00024415-41 10336-EP2301538A1 BDBM32022 25316-40-9 Prestwick3_000438 10336-EP2305642A2 C01661 80168379AG SB21799 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 ZINC3918087 10336-EP2311842A2 D0VW5S (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 Doxorubicin citrate (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 Doxorubicina 10336-EP2270014A1 13171-EP2295412A1 Farmablastina (hydrochloride salt) 10336-EP2277567A1 adr iablatina (hydrochloride salt) 13171-EP2298772A1 Hydroxydaunomycin hydrochlor ide (hydrochloride salt) 10336-EP2289892A1 Adriamycin PFS (TN) 10336-EP2292615A1 Adriamycin RDF (TN) 13171-EP2311827A1 Myocet (TN) 10336-EP2298765A1 Aerosolized Doxorubicin NDC 38242-874 10336-EP2302382A2 BRD-K92093830-003-04-3 45970-EP2275413A1 RDF Rubex 10336-EP2305689A1 Caelyx (TN) SPBio_002395 10336-EP2311808A1 Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74 (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 DOX (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 Doxorubicin(Adriamycin) (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 Doxorubicine [INN-French] 10336-EP2272827A1 AC1L1M5T 13171-EP2298305A1 GR-319 10336-EP2277570A2 adriablatina (hydrochloride salt) 13171-EP2305640A2 Hydroxydaunorubicin hydrochloride (hydrochloride salt) LS-165655 10336-EP2295416A2 Adriblastin 13171-EP2316834A1 NCGC00024415-38 10336-EP2298780A1 AOJJSUZBOXZQNB-TZSSRYMLSA-N 24385-08-8 Prestwick1_000438 10336-EP2305250A1 BSPBio_001031 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)- Rubex (hydrochloride salt) 10336-EP2308833A2 CCRIS 739 Triferric doxorubicin 10336-EP2311829A1 D03899 (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 Doxorubicin-P4/D10 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 DTXSID8021480 10336-EP2277565A2 ADM 13171-EP2298748A2 HSDB 3070 10336-EP2280012A2 Adriamycin PFS 13171-EP2305679A1 13171-EP2308839A1 MolPort-006-124-025 10336-EP2298748A2 Adriblastina (TN) 14-Hydroxydaunorubicine NCGC00024415-42 10336-EP2301928A1 BP-23114 25316-40-9 (hydrochloride) Probes1_000151 10336-EP2305671A1 Caelyx AB1009243 SCHEMBL3243 10336-EP2311453A1 CHEMBL53463 (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 DB00997 (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 Doxorubicin hydrochloride (hydrochloride salt) (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 Doxorubicina [INN-Spanish] 10336-EP2270018A1 13171-EP2295413A1 FI 106 10336-EP2277568A2 Adriablastin 13171-EP2298780A1 Hydroxydaunomycin hydrochloride (hydrochloride salt) 10336-EP2292280A1 Adriamycin RDF 10336-EP2292617A1 Adriamycin semiquinone 13171-EP2316832A1 NCGC00024415-35 10336-EP2298768A1 AKOS015951330 23214-92-8 NSC 123127 10336-EP2302383A2 BRD-K92093830-003-25-8 45970-EP2287156A1 Resmycin 10336-EP2308562A2 Cantide + adriamycin ThermoDox 10336-EP2311825A1 Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120 (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 DOX-SL (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 Doxorubicin-hLL1 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 Doxorubicinum 10336-EP2272832A1 AC1Q29OJ 13171-EP2298736A1 GTPL7069 10336-EP2277865A1 Adriacin (hydrochloride salt) 13171-EP2305642A2 JT9100000 13171-EP2305689A1 MCULE-4188577717 10336-EP2295426A1 Adriblastina 13171-EP2316937A1 NCGC00024415-40 10336-EP2301536A1 BDBM22984 25311-50-6 Prestwick2_000438 10336-EP2305640A2 C-23275 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)- Rubex (TN) 10336-EP2308855A1 CHEBI:28748 (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 UNII-80168379AG 10336-EP2311840A1 D07VLY (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 Doxorubicin (USAN/INN) (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 Doxorubicin-P4/D10 conjugate 10336-EP2270008A1 13171-EP2295407A1 EINECS 245-495-6 10336-EP2277566A2 ADR 13171-EP2298768A1 HY-15142A 10336-EP2281815A1 Adriamycin PFS (hydrochloride salt) 13171-EP2308861A1 Myocet 10336-EP2298764A1 adriblatina (hydrochloride salt) 14D928 NCI-C01514 10336-EP2301933A1 BPBio1_000502 29042-30-6 Probes2_000129 10336-EP2305679A1 Caelyx (liposomal doxorubicin) SMP1_000106 10336-EP2311455A1 cid_443939 (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 DM2 (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 Doxorubicin [USAN:INN:BAN] (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 Doxorubicine 10336-EP2270505A1 13171-EP2295416A2 FT-0601614 10336-EP2277569A2 adriablastine (hydrochloride salt) 13171-EP2301933A1 Hydroxydaunorubicin 10336-EP2292614A1 Adriamycin RDF (hydrochloride salt) 10336-EP2295055A2 Adriblas tina 13171-EP2316833A1 NCGC00024415-37 10336-EP2298778A1 AN-17965 23257-17-2 Prestwick0_000438 10336-EP2305243A1 BSPBio_000456 45970-EP2311807A1 Rubex 10336-EP2308812A2 CC-23807 TLC D-99 10336-EP2311827A1 CS-2759 (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 Doxil (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 Doxorubicin-hLL1 conjugate 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 Doxorubicinum [INN-Latin] 10336-EP2275420A1 adiblastine (hydrochloride salt) 13171-EP2298746A1 HMS2089H06 10336-EP2277876A1 Adriamycin 13171-EP2305671A1 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
IC50	34464.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	15666.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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