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GPCR

Name	5-hydroxytryptamine receptor 1D
Species	Rattus norvegicus (Rat)
Gene	Htr1d
Synonym	5-HT1D receptor HTRL Htr1db HT1DA Gpcr14 5-HT-1D 5-HT1D 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled 5-HT1Dalpha Serotonin receptor 1D [ Show all ]
Disease	N/A for non-human GPCRs
Length	374
Amino acid sequence	MSLPNQSLEGLPQEASNRSLNATGAWDPEVLQALRISLVVVLSIITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWAISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQRVVHFRKAS
UniProt	P28565
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	CHEMBL5450
IUPHAR	3
DrugBank	N/A

Ligand

Name	metergoline
Molecular formula	C25H29N3O2
IUPAC name	benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]carbamate
Molecular weight	403.526
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	Benzyl 1,6-dimethylergolin-8beta-ylmethylcarbamat N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamic acid benzyl ester BRD-K56699285-001-03-7 NCGC00017257-14 Carbamic acid, ((1,6-dimethylergolin-8-beta-yl)methyl)-, benzyl ester Prestwick0_000364 CS-4551 SPBio_002408 D0UQ2X ST056348 FI 6337 UPCMLD-DP151:001 HY-B1033 Lysergamine, N-carboxy-9,10-dihydro-1-methyl-, benzyl ester (+)-N-(Carboxy)-1-methyl-9,10-dihydrolysergamine benzyl ester MFCD00153829 MLS002207142 benzyl {[(8beta)-1,6-dimethylergolin-8-yl]methyl}carbamate NCGC00017257-07 C25H29N3O2 NCGC00022834-06 CCG-204811 Prestwick3_000364 D-8-beta-((Carboxyamino)methyl)-1,6-dimethylergoline I benzyl ester SR-01000000003-4 DSSTox_GSID_42584 Tox21_110808 HMS1569I09 [(8?)-1,6-Dimethylergolin-8-yl)methyl]carbamic acid phenylmethyl ester Liserdol MCE 1-Methyl-8-beta-carbobenzyloxyaminomethyl-10-alpha-ergoline Metergoline [INN:BAN] AHR 3009 B6365 N-CBZ-[(8\|A)-1,6-Dimethylergolin-8-yl]methylamine BPBio1_000287 NCGC00017257-10 Carbamic acid, (((8-beta)-1,6-dimethylergolin-8-yl)methyl)-, phenylmethyl ester (9CI) NCGC00261411-01 CHEMBL19215 SCHEMBL117882 D07218 SR-01000075561 EINECS 241-686-3 UNII-1501393LY5 HMS3262A14 [[(8beta)-1,6-Dimethylergolin-8-yl]-methyl]carbamic acid phenylmethyl ester LP00726 (((8-beta)-1,6-Dimethylergolin-8-yl)methyl)carbamic acid benzyl ester Metergolina [DCIT] 1501393LY5 Metergolinum [Latin] benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate NCGC00017257-05 BRD-K56699285-001-18-5 NCGC00022834-04 Carbamic acid, N-[[(8b)-1,6-dimethylergolin-8-yl]methyl]-,phenylmethyl ester Prestwick1_000364 D-8-beta-((Carbobenzoxyamino)methyl)-1,6-dimethyl-10-alpha-ergoline SR-01000000003 DB13520 STL525769 FI-6337 WZHJKEUHNJHDLS-QTGUNEKASA-N I01-17061 Lysergamine, N-carboxy-9,10-dihydro-1-methyl-, benzyl ester (7CI) (phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate Metergoline (INN) AC1L1FV1 MLS000069437 MolPort-001-794-640 benzyl{[(8b)-1,6-dimethylergolin-8-yl]methyl}carbamate NCGC00017257-08 Carbamic acid, (((8-beta)-1,6-dimethylergolin-8-yl)methyl)-, benzyl ester NCGC00022834-07 CHEBI:64216 Prestwick_657 D-N-Carbobenzoxydihydro-1-methyllysergamine I SR-01000000003-5 DSSTox_RID_80053 Tox21_110808_1 HMS2096I09 [(8beta)-1,6-Dimethylergolin-8-yl)methyl]carbamic acid phenylmethyl ester Liserdol (TN) Metergolin 1-Methyl-N-carbobenzyloxydihydro-D-lysergamin Metergolinum AKOS015889165 BDBM30704 N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamic acid (phenylmethyl) ester BPBio1_000537 NCGC00017257-11 Carbamic acid, (((8beta)-1,6-dimethylergolin-8-yl)methyl)-, phenylmethyl ester Opera_ID_1642 cid_28693 SMR000059050 D0UA0I SR-01000075561-1 EU-0100726 UPCMLD-DP151 HMS3713I09 LS-49541 (((8-beta)-1,6-Dimethylergolin-8-yl)methyl)carbamic acid phenylmethyl ester Metergolina [Spanish] 17692-51-2 Methergoline MLS001148102 benzyl {[(8alpha)-1,6-dimethylergolin-8-yl]methyl}carbamate NCGC00017257-06 BSPBio_000487 NCGC00022834-05 CAS-17692-51-2 Prestwick2_000364 D-8-beta-((Carboxyamino)methyl)-1,6-dimethylergoline benzyl ester SR-01000000003-2 DSSTox_CID_22584 Substance 355/255 GTPL133 ZINC3812975 KS-1369 M 3668 1,6-Dimethyl-8-beta-carbobenzyloxaminomethyl-10-alpha-ergoline Metergoline phenylmethyl ester AC1Q6654 N-Cbz-[(8beta)-1,6-Dimethylergolin-8-yl]methylamine Biomol-NT_000134 NCGC00017257-09 Carbamic acid, (((8-beta)-1,6-dimethylergolin-8-yl)methyl)-, phenylmethyl ester NCGC00022834-08 REGID_for_CID_28693 D-N-Carboxydihydro-1-methyllysergamine I benzyl ester SR-01000000003-6 DTXSID5042584 Tox21_500726 HMS2234H19 [(8\|A)-1,6-Dimethylergolin-8-yl)methyl]carbamic acid phenylmethyl ester Lopac0_000726 Metergolina Metergolinum [INN-Latin] API0003187 [ Show all ]
Inchi Key	WZHJKEUHNJHDLS-QTGUNEKASA-N
Inchi ID	InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
PubChem CID	28693
ChEMBL	CHEMBL19215
IUPHAR	133
BindingDB	30704
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.77 nM	PMID7984267	BindingDB

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