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GPCR

Name	5-hydroxytryptamine receptor 7
Species	Homo sapiens (Human)
Gene	HTR7
Synonym	5-HT-7 Serotonin receptor 7 5-HT-X 5-HT1Y 5-HT7 GPRFO 5-HT7 receptor 5-HTx 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled [ Show all ]
Disease	Sleep disorders Schizophrenia Major depressive disorder
Length	479
Amino acid sequence	MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD
UniProt	P34969
Protein Data Bank	N/A
GPCR-HGmod model	P34969
3D structure model	This predicted structure model is from GPCR-EXP P34969.
BioLiP	N/A
Therapeutic Target Database	T79062
ChEMBL	CHEMBL3155
IUPHAR	12
DrugBank	BE0000650, BE0004862

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	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 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 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 152918-18-8 AC1L3X3V b-D-Ribofuranuronamide,1-deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl- DB05511 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 3-IB-Meca AKOS024456363 CF 101 CTK8E8477 GTPL422 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 1-Deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl-?-D-ribofuranuronamide API0005162 Cf101 D10971 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 215462-30-9 Adenosine, N(6)-[3-iodobenzyl]-4'-methylcarbamoyl-4'-dehydroxymethyl- BDBM50118812 CHEMBL119709 DTXSID50165158 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 3-iodobenzyl-5'-N-methylcarboxamidoadenosine AN-16662 CF-101 D03VTU HMS2234I04 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 1-deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9h-purin-9-yl]-n-methyl-beta-d-ribofuranuronamide AS-16876 CHEBI:73286 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 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 [ 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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