Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	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	L-741626 MFCD00953632 NCGC00015591-06 PDSP1_001848 Tocris-1003 3-[4-(4-chlorophenyl)-4-hydroxypiperidinyl]methylindole 81226-60-0 BPBio1_001094 CTK3I9542 HMS3370K05 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 EU-0100742 LP00742 NCGC00015591-04 NCGC00261427-01 SR-01000075973-1 4-Piperidinol, 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)- BDBM50050467 HMS3262E06 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 D0M3PV L 741626 Lopac-L-135 NCGC00015591-02 NCGC00024932-03 SMR000326937 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol AKOS024456330 CCG-204827 GTPL177 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 HMS3267M15 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 DTXSID30230974 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 HMS2230F17 [ 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	1000.0 nM	PMID10869410	BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417