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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 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	L-741,626
Molecular formula	C20H21ClN2O
IUPAC name	4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
Molecular weight	340.851
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.7
Synonyms	D0M3PV KSC-315-034- L000887 MLS000860079 NCGC00015591-07 PDSP2_001399 ( inverted exclamation markA)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole Tox21_500742 3-[[4-(4-Chlorophenyl)-4-hydroxypiperidin-l-yl]methyl-1H-indole A19235 BRD-K05181463-001-01-6 GTPL177 L 741626 Lopac-L-135 NCGC00015591-02 NCGC00024932-03 SMR000326937 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol AKOS024456330 CCG-204827 HMS3267M15 L-741,626, >=98% (HPLC) LS-116920 NCGC00015591-05 PDSP1_001415 SR-01000075973-3 3-(4-(4-Chlorophenyl-4-hydroxypiperidino)methyl)indole Biomol-NT_000036 CHEMBL445102 DTXSID30230974 KUC112479N L741,626 MolPort-003-943-618 NCGC00024932-01 PDSP2_001833 ( inverted question mark)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole ZINC6788 4-(4-Chloro-phenyl)-1-(1H-indol-3-ylmethyl)-piperidin-4-ol AC1L335F BRD-K05181463-001-04-0 HMS2230F17 L-135 Lopac0_000742 NCGC00015591-03 NCGC00024932-04 SR-01000075973 1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperidin-4-ol 4-(4-chlorophenyl)-1-(1h-indol-3-ylmethyl)piperidin-4-ol B6544 CHEBI:92090 HMS3370K05 L-741626 MFCD00953632 NCGC00015591-06 PDSP1_001848 Tocris-1003 3-[4-(4-chlorophenyl)-4-hydroxypiperidinyl]methylindole 81226-60-0 BPBio1_001094 CTK3I9542 EU-0100742 L 741,626 L741626 NCGC00015591-01 NCGC00024932-02 SCHEMBL11253588 (+/-)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole 4-(4-CHLOROPHENYL)-1-(1H-INDOL-3-YL METHYL)PIPERIDIN-4-OL AC1Q3NO6 C20H21ClN2O HMS3262E06 LP00742 NCGC00015591-04 NCGC00261427-01 SR-01000075973-1 4-Piperidinol, 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)- BDBM50050467 [ Show all ]
Inchi Key	LLBLNMUONVVVPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
PubChem CID	133633
ChEMBL	CHEMBL445102
IUPHAR	177
BindingDB	50050467
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	630.957 nM	PMID10869410	IUPHAR
Ki	630.96 nM	PMID10869410	BindingDB

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