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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

Ligand

Name	CHEMBL1275709
Molecular formula	C16H19N3
IUPAC name	3-[(1S,3R)-3-(dimethylamino)cyclopentyl]-1H-indole-5-carbonitrile
Molecular weight	253.349
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.8
Synonyms	SCHEMBL6087472 BDBM50330813 cis-3-(3-dimethylaminocyclopentyl)-1H-indole-5-carbonitrile 3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5-carbonitrile CMJSIPQFDNXSOL-QWHCGFSZSA-N
Inchi Key	CMJSIPQFDNXSOL-QWHCGFSZSA-N
Inchi ID	InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1
PubChem CID	49836386
ChEMBL	CHEMBL1275709
IUPHAR	N/A
BindingDB	50330813
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID20949929	BindingDB,ChEMBL

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