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 2C
Species	Rattus norvegicus (Rat)
Gene	Htr2c
Synonym	5-HT-1C serotonin 1c receptor HTR1C 5-hydroxytryptamine receptor 1C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-HTR2C 5-HT2C receptor 5-HT2C 5-HT1C 5-HT-2C serotonin receptor 2C [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV
UniProt	P08909
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	CHEMBL324
IUPHAR	8
DrugBank	BE0004882

Ligand

Name	Skf-77434
Molecular formula	C19H21NO2
IUPAC name	5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular weight	295.382
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.6
Synonyms	1-phenyl-3-prop-2-en-1-yl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CHEBI:63988 N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol SK&F 77434 1H-3-Benzazepine-7,8-diol,2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)- ACMC-20calx CTK4A3038 NCGC00015915-04 SKF-77,434 (+/-)-SKF 38393, N-allyl-, hydrobromide 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine BRD-A64227845-004-02-8 Lopac0_001143 PDSP2_001509 104422-04-0 AC1L1B1E N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine SKF 38393, N-allyl-, hydrobromide (+)-7,8-di-hydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine 3-allyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol AKOS030239137 DTXSID3043817 NCGC00025249-02 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CCG-205217 LS-171920 SCHEMBL7390591 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)- AC1Q79PZ CHEMBL288090 NCGC00015915-03 SKF 77434 (+/-)-APD3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol 3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride BDBM50004918 L001232 PDSP1_001525 [ Show all ]
Inchi Key	QBUVZVXIRYFENV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2
PubChem CID	1241
ChEMBL	CHEMBL288090
IUPHAR	N/A
BindingDB	50004918
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	3037.0 nM	PMID9686407	BindingDB

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