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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 5A
Species	Homo sapiens (Human)
Gene	HTR5A
Synonym	5-HT5alpha 5-HT-5 MR22 Htr5 5-HT-5A 5-HT5A 5HT5- 5-HT5A receptor 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled serotonin receptor 5A [ Show all ]
Disease	N/A
Length	357
Amino acid sequence	MDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH
UniProt	P47898
Protein Data Bank	N/A
GPCR-HGmod model	P47898
3D structure model	This predicted structure model is from GPCR-EXP P47898.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3426
IUPHAR	10
DrugBank	BE0004688

Ligand

Name	Harmalan
Molecular formula	C12H12N2
IUPAC name	1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Molecular weight	184.242
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.1
Synonyms	NCGC00245167-01 TC-166607 1-Methyl-3,4-dihydro-beta-carboline 3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-methyl- ACMC-1AST1 Dihydroharman HMS2270L19 REGID_for_CID_5316718 1-Methyl-4,9-dihydro-3H-beta-carboline BDBM50136493 MLS001048999 SMR000387013 1-Methyl-3,4-dihydro-2H-.beta.-carboline 3,4-Dihydro-1-methyl-2H-Pyrido[3,4-b]indole AC1NSUKB CHEMBL295234 NCGC00245167-02 TRA0052609 1-methyl-3,4-dihydrobeta-carboline 4,9-Dihydro-1-methyl-3H-Pyrido(3,4-b)indole AKOS006282713 HMS3561H09 SCHEMBL141724 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole 525-41-7 BJRYQXFFBCGJRM-UHFFFAOYSA-N MolPort-001-825-653 ST50984240 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole 3H-Pyrido(3,4-b)indole, 4,9-dihydro-1-methyl- AC1Q2PFX CTK8C5609 harman e Oprea1_558389 ZINC13130932 1-methyl-3H,4H,9H-pyrido[3,4-b]indole 4,9-Dihydro-1-methyl-3H-pyrido[3,4-b]indole, 9CI BAS 00654954 MCULE-2765797747 SCHEMBL4986696 2H-Pyrido[3,4-b]indole, 3,4-dihydro-1-methyl- A827586 [ Show all ]
Inchi Key	CWOYLIJQLSNRRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
PubChem CID	160510
ChEMBL	CHEMBL295234
IUPHAR	N/A
BindingDB	50136493
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	845.0 nM	PMID14643338	ChEMBL
Ki	845.0 nM	PMID14643338	BindingDB

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