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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 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL322
IUPHAR	6
DrugBank	N/A

Ligand

Name	4-(4-Fluorobenzoyl)piperidine
Molecular formula	C12H14FNO
IUPAC name	(4-fluorophenyl)-piperidin-4-ylmethanone
Molecular weight	207.248
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.7
Synonyms	4-(4-fluorobenzoyl) piperidine 4-fluorophenyl-4-piperidinyl methanone AC1Q4LW8 BB 0258952 CS-0046222 MCULE-4694574093 SCHEMBL228259 (4-Fluoro-phenyl)-piperidin-4-yl-methanone (4-fluorophenyl)-piperidin-4-ylmethanone 4-(4-fluorobenzoyl)piperidine, AldrichCPR 56346-57-7 AJ-12438 BRD-K68125677-003-01-5 FT-0082956 NE62759 V0513 (4-fluorophenyl) (4-piperidinyl)methanone 346F577 4-(4-fluorbenzoyl)piperidine 4-Fluorophenyl piperidin-4-yl methanone AC-6306 ANW-54621 KB-34393 RP26314 (4-fluorophenyl)-(3,4,5,6-tetrahydro-2H-pyridin-4-yl)methanone 4-(4-fluorobenzoyl)-piperidine 4-[(4-fluorophenyl)carbonyl]piperidine AC1Q4LW9 BC205822 CTK0I1250 METHANONE, (4-FLUOROPHENYL)-4-PIPERIDINYL- SDCCGMLS-0066093.P001 (4-Fluoro-phenyl)-piperidin4-yl-methanone (4-fluorophenyl)-piperidin-4-ylmethanone,hydrochloride 4- (4-Fluorobenzoyl)-piperidine 4-(p-fluorobenzoyl)-piperidine AB14167 AKOS000200078 CCG-243729 FT-0616622 Oprea1_026899 ZINC141452 (4-fluorophenyl)(4-piperidinyl)methanone 4-(4-fluoro-benzoyl)-piperidine 4-Fluorophenyl(4-piperidinyl) ketone AC1MC4XH BAS 06481010 CHEMBL148189 Maybridge1_003304 SC-26451 (4-fluorophenyl)-4-piperidinylmethanone ACMC-20a2un BDBM50004316 DB-012269 MolPort-001-794-672 TC-143366 (4-fluorophenyl) (4-piperidinyl) methanone (4-fluorophenyl)piperidin-4-ylmethanone 4-(4'-fluorobenzoyl)piperidine 4-(P-FLUOROBENZOYL)PIPERIDINE ABERUOJGWHYBJL-UHFFFAOYSA-N AM20040728 CF-1094 I14-8919 Q-102117 (4-fluorophenyl)(piperidin-4-yl)methanone [ Show all ]
Inchi Key	ABERUOJGWHYBJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
PubChem CID	2724440
ChEMBL	CHEMBL148189
IUPHAR	N/A
BindingDB	50004316
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	524.81 nM	Bioorg. Med. Chem. Lett., (1995) 5:7:667	ChEMBL
Ki	398.0 nM	N/A	BindingDB
Ki	398.11 nM	Bioorg. Med. Chem. Lett., (1995) 5:7:667	ChEMBL

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