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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	IB-MECA
Molecular formula	C18H19IN6O4
IUPAC name	(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight	510.292
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.9
Synonyms	152918-18-8 AC1L3X3V b-D-Ribofuranuronamide,1-deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl- DB05511 IB-MECA, solid, >=98% (HPLC) N(6)-(3-Iodobenzyl)adenosine-5'-N-methyluronamide NCGC00024978-05 SC-41757 (2S,3S,4R,5R)-5-{6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide 3-IB-Meca AKOS024456363 CF 101 CTK8E8477 GTPL422 LS-184434 N6-(3-Iodobenzyl)adenosine-5 inverted exclamation marka-N-methyluronamide Piclidenoson [USAN] (2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide SMR001230772 (N-6-(3-iodobenzyl)adenosine-5''-N-methyluronamide 1-Deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl-?-D-ribofuranuronamide API0005162 Cf101 D10971 HY-13591 N(6)-(3-iodo-benzyl)adenosine-5'-N-methyluronamide NCGC00024978-03 RT-013304 (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide 215462-30-9 Adenosine, N(6)-[3-iodobenzyl]-4'-methylcarbamoyl-4'-dehydroxymethyl- BDBM50118812 CHEMBL119709 DTXSID50165158 IBMECA N(6)-Ibamu piclidenoson (2R,3R,4S,5S)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide;CF 101 SCHEMBL465039 (3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide 3-iodobenzyl-5'-N-methylcarboxamidoadenosine AN-16662 CF-101 D03VTU HMS2234I04 MLS002153391 N6-(3-Iodobenzyl)adenosine-5'-N-methyluronamide REGID_for_CID_123683 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide UNII-30679UMI0N 1-Deoxy-1-(6-(((3-iodophenyl)methyl)amino)-9H-purin-9-yl)-N-methyl-beta-D-ribofuranuronamide 1-deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9h-purin-9-yl]-n-methyl-beta-d-ribofuranuronamide AS-16876 CHEBI:73286 N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine NCGC00024978-04 SB16936 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide 3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide AK340998 beta-D-Ribofuranuronamide, 1-deoxy-1-(6-(((3-iodophenyl)methyl)amo)-9H-purin-9-yl)-N-methyl- CS-5048 EX-A2514 J-008958 N6-(3-iodobenzyl)-5''-N-methylcarboxamidoadenosine Piclidenoson (USAN/INN) (2S,3S,4R,5R)-3,4-dihydroxy-5-(6-((3-iodobenzyl)amino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide SI-615 (3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide 1-Deoxy-1-[6-[((3-Iodophenyl)methyl)amino]-9H-purin-9-yl]-N-methyl-\|A-D-ribofuranuronamide 30679UMI0N AOB5361 CF-101; IB-MECA; Piclidenoson D0Y6ZK HUJXGQILHAUCCV-MOROJQBDSA-N MolPort-003-941-777 NCGC00024978-02 RPR-113090 (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyl-tetrahydrofuran-2-carboxamide ZINC3811810 [ Show all ]
Inchi Key	HUJXGQILHAUCCV-MOROJQBDSA-N
Inchi ID	InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
PubChem CID	123683
ChEMBL	CHEMBL119709
IUPHAR	422
BindingDB	50118812
DrugBank	DB05511
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>50.0 %	PMID27933810	ChEMBL

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