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GLASS

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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	pindolol
Molecular formula	C14H20N2O2
IUPAC name	1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	248.326
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	KBio2_006725 BDBM50019443 Pinbetol (TN) Lopac0_000955 Blocklin-L Pindolol, United States Pharmacopeia (USP) Reference Standard NC00467 C07445 Prestwick_397 NCGC00015786-14 CHEBI:8214 SC-25688 (+-)-lb46 Spectrum4_000479 1-((1-Methylethyl)amino)-3-(4-indolyloxy)-2-propanol DSSTox_CID_3476 ST50319990 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol EU-0100955 [2-hydroxy-3-(1H-indol-4-yloxy)propyl](propan-2-yl)amine 1-(Indol-4-yloxy)-3-(isopropylamino)-2-propanol HMS2089I21 21870-06-4 NCGC00024925-07 HMS502J19 AB00052072 PDSP1_000771 AB00052072_13 PDSP2_000760 KBioSS_001589 Blockin L Pindolol (JP17/USP/INN) MCULE-7764948919 BRD-A97701745-001-05-3 Pindololum [INN-Latin] NCGC00015786-08 Carvisken Prinodolol CPD000059120 SPBio_001289 (.+/-.)-Pindolol Decreten (TN) SR-01000000027 1-(1H-Indol-4-yloxy)-3-((1-methylethyl)amino)-2-propanol DTXSID8023476 Tox21_110221_1 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol(pindolol) Glauco-Visken (TN) 2-Propanol, 1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)- NCGC00015786-20 HMS3259I07 4-(3-(Isopropylamino)-2-hydroxypropoxy)indole NSC-757276 IDI1_000837 AKOS015969756 Pharmakon1600-01500488 LB-46 Blocklin L Pindolol, >=98% (TLC), powder MLS002548891 BSPBio_000020 Prestwick2_000090 NCGC00015786-11 CCG-39223 SAM002264631 D00513 Spectrum2_001285 (rs)-pindolol DL-LB 46 SR-01000000027-5 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol EINECS 236-867-9 Visken (TN) 1-(1H-indol-4-yloxy)-3-[(propan-2-yl)amino]propan-2-ol HMS1568A22 2-Propanol, 1-(4-indolyloxy)-3-(isopropylamino)- NCGC00024925-05 HMS3369E14 523P869 P 0778 KBio2_001589 KBio3_001693 Betapindol LP00955 Blocklin-L (TN) PINDOLOL,(-) NCGC00015786-06 Calvisken Prindolol NCGC00015786-16 SCHEMBL5219 (+-)-Pindolol DB00960 Spectrum5_001266 1-((1H-indol-4-yl)oxy)-3-(isopropylamino)propan-2-ol DSSTox_GSID_23476 SW196641-3 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol FT-0630406 1-[1H-INDOL-4-YLOXY]-3-[ISOPROPYLAMINO]-2-PROPANOL HMS2091P20 3-indol-4-yloxy-1-[(methylethyl)amino]propan-2-ol NCGC00261640-01 HSDB 6539 AB00052072-11 PDSP1_000772 AC1L1J1N Pectobloc L000006 Blockin L (TN) Pindolol [USAN:INN:BAN:JAN] MFCD00010530 BRD-A97701745-001-09-5 Prestwick0_000090 NCGC00015786-09 Carvisken (TN) Pynastin CS-4473 SPBio_001959 (1)-1-(1H-Indol-4-yloxy)-3-(isopropylamino)propan-2-ol DivK1c_000837 SR-01000000027-2 1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol Durapindol Tox21_500955 1-(1H-Indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol Glauco-Viskin 2-Propanol, 1-(1H-indol-4-yloxy)-3-(1-methylethyl)amino- NCGC00024925-03 HMS3262P12 5-21-03-00017 (Beilstein Handbook Reference) NSC757276 JZQKKSLKJUAGIC-UHFFFAOYSA-N KBio2_004157 AN-18448 Pinbetol LB46 Blocklin L (TN) Pindolol, European Pharmacopoeia (EP) Reference Standard MolPort-001-792-503 BSPBio_002193 Prestwick3_000090 NCGC00015786-13 CCRIS 9215 SBI-0050929.P004 (+-)-4-(2-hydroxy-3-(isopropylamino)propoxy)indole D0F2PO Spectrum3_000547 DL-Pindolol SR-01000000027-7 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-propan-2-ol EINECS 244-623-8 Z3376 1-(4-Indolyloxy)-3-(isopropylamino)-2-propanol HMS1920H16 2-Propanol, 1-(indol-4-yloxy)-3-(isopropylamino)-, (+-)- NCGC00024925-06 HMS3712A22 P-6820 KBioGR_000958 Betapindol (TN) Pindolol (JP15/USP/INN) LS-122385 BPBio1_000022 Pindololum NCGC00015786-07 Calvisken (TN) Prindolol (TN) CHEMBL500 SMR000059120 (+/-)-Pindolol-d7(iso-propyl-d7) Decreten Spectrum_001109 1-(1h-indol-4-yloxy)-3-((1-methylethyl)amino)-2-propano DSSTox_RID_77043 Tox21_110221 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol((-)-Pindolol) Glauco-visken 13523-86-9 HMS2095A22 4-(2-Hydroxy-3-isopropylaminopropoxy)-indole NINDS_000837 HY-B0982 AB00052072_12 PDSP2_000759 AC1Q1QC1 Pectobloc (TN) LB 46 Blocklin Pindolol [USAN:USP:INN:BAN:JAN] MLS000069496 BRN 1536506 Prestwick1_000090 NCGC00015786-10 CAS-13523-86-9 Pynastin (TN) CTK8G2432 SPECTRUM1500488 (R,S)-PINDOLOL DL-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole SR-01000000027-4 1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol # Durapindol (TN) Visken 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol GTPL91 2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]- NCGC00024925-04 HMS3267K17 Oprea1_770884 KBio1_000837 [ Show all ]
Inchi Key	JZQKKSLKJUAGIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
PubChem CID	4828
ChEMBL	CHEMBL500
IUPHAR	91
BindingDB	50019443
DrugBank	DB00960
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	24.0 nM	PMID1738111	BindingDB
Ki	58.88 nM	PMID1968985	BindingDB
Ki	61.65 nM	PMID7984267	BindingDB
Ki	80.0 nM	PMID3543362	BindingDB,ChEMBL
Ki	151.35 nM	PMID7984267	BindingDB
Ki	5800.0 nM	PMID1738111	BindingDB

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