Zhang Lab

University of Michigan

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 ●DMFold ●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	imipramine
Molecular formula	C19H24N2
IUPAC name	3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Molecular weight	280.415
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.8
Synonyms	ZINC20245 Melipramine NCGC00015563-02 NCGC00015563-10 Norfranil Prestwick0_000072 SBI-0050680.P004 Spectrum4_000016 Tofranil Tofranil-PM Imizine (Salt/Mix) AN-41560 Irmin (TN) BIDD:GT0116 KBio2_006531 CAS-113-52-0 CHEMBL11 1-(3-Dimethylaminopropyl)-4,5-dihydro-2,3,6,7-dibenzazepine Deprinol (TN) 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine DTXSID1043881 5,6-Dihydro-N-[3-(dimethylamino)propyl]-11H-dibenz[b,e]azepine FT-0697093 50-49-7 Imavate (Salt/Mix) 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl- Imipramine (INN) AB00053486-15 N-(.gamma.-Dimethylaminopropyl)iminodibenzyl NCGC00015563-05 NCGC00024253-03 NSC169866 Prestwick3_000072 SK-Pramine (Salt/Mix) STL416211 Tofranil (Salt/Mix) Tox21_110174_1 Impramine API0006755 Janimine (TN) BRD-K38436528-003-15-4 KBioSS_001395 CCRIS 9173 D08070 113-52-0 (mono-hydrochloride) DivK1c_000559 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine Dynaprin (TN) 5-(3-(Dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine GTPL357 5H-Dibenz(b, 5-(3-(dimethylamino)propyl)-10,11-dihydro- Imipramin 5H-Dibenz[b, 10,11-dihydro-N,N-dimethyl- Imipraminum [INN-Latin] AC1L1GIE W0042 Melipramin N-(gamma.-Dimethylaminopropyl)iminodibenzyl NCGC00015563-08 NINDS_000559 Pramine Psychoforin (Salt/Mix) Spectrum2_000990 Surplix (TN) Tofranil(TN) AK116463 Iramil BDBM50010859 KBio2_001395 BSPBio_002172 Lopac0_000702 CHEBI:47499 Declomipramine 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine DSSTox_GSID_43881 Eupramin (Salt/Mix) 5-(3-Dimethylaminopropyl)-10,f)azepine IDI1_000559 5H-Dibenz(b,f)azepine, 5-(3-(dimethylamino)propyl)-10,11-dihydro- Imipramina [Italian] 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl- Imizin (Salt/Mix) MolPort-001-783-692 NCGC00015563-03 NCGC00015563-11 NSC 169866 Prestwick1_000072 SCHEMBL34282 Spectrum5_000864 Tofranil (free base) Tofraniln A Imizinum Antideprin Janimine BPBio1_000313 KBio3_001392 CAS-50-49-7 Clomipramine HCl EP Impurity B 10,11-Dihydro-5-(3-(dimethylamino)propyl)-5H-dibenz[b,f]azepine Depsonil (TN) 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine;3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine Dyna-zina 5,e)azepine G-22355 Imidobenzyle 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl- (9CI) Imipramine [INN:BAN] AB00053486_16 N-(3-Dimethylaminopropyl)-o-iminodibenzyl NCGC00015563-06 NCGC00024253-04 OGG85SX4E4 Promiben SPBio_001059 Surplix Tofranil (TN) UNII-OGG85SX4E4 ACM50497 InChI=1/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H AX8134492 KB-232392 BRN 0256892 L000739 Censtim 2,2'-(3-Dimethylaminopropylimino)bibenzyl Dpid 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine EINECS 200-042-1 5-(3-(Dimethylamino)propyl)-10,f)azepine HMS2089G08 5H-Dibenz(b,5-[3-(dimethylamino)propyl]-10,11-dihydro-mixed with ethyl alcohol Imipramina 5H-Dibenz[b, 5-[3-(dimethylamino)propyl]-10,11-dihydro- Imiprin WLN: T C676 BN&T&J B3N1&1 Melipramin (TN) NCGC00015563-01 NCGC00015563-09 Norchlorimipramine Prazepine PubChem21397 Spectrum3_000466 Timolet Tofranil, base AKOS016010320 Irmin Berkomine KBio2_003963 C07049 LS-60467 1-(3-Dimethylaminopropyl)-4,3,6,7-dibenzazepine Deprimin (TN) 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine # DSSTox_RID_80080 5,6-Dihydro-N-(3-(dimethylamino)propyl)-11H-dibenz(b,e)azepine Eupramin (TN) 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine Imavate 5H-Dibenz(b,f)azepine,5-[3-(dimethylamino)propyl]-10,11-dihydro-mixed with ethyl alcohol AB00053486 Imizine MRF-0000592 NCGC00015563-04 NCGC00015563-13 NSC-169866 Prestwick2_000072 SK-Pramine Spectrum_000915 Tofranil (hydrochloride) Tox21_110174 Imizinum (Salt/Mix) Antideprin (TN) Janimine (hydrochloride) BRD-K38436528-003-05-5 KBioGR_000391 CCG-36485 D06ZUK 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine Dimipressin 3-(10,11-dihydro-5h-dibenz[b,f]azepin-5-yl)propyldimethylamine Dynaprin 5,e]azepine G-22355 (Salt/Mix) 5H-Dibenz(b, 10,11-dihydro-5-(3-(dimethylamino)propyl)- Imipramil (TN) 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-(9CI) Imipraminum AB00053486_17 MCULE-9471074673 N-(gamma-Dimethylaminopropyl)iminodibenzyl NCGC00015563-07 Nelipramin Oprea1_200908 Psychoforin SPBio_002204 Surplix (Salt/Mix) Tofranil base W-109253 AJ-08423 Intalpram BCGWQEUPMDMJNV-UHFFFAOYSA-N KBio1_000559 BSPBio_000283 Lopac-I-7379 Censtin (3-{2-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)dimethylamine DB00458 2,2'-(3-Dimethylaminopropylimino)dibenzyl DSSTox_CID_23881 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE Eupramin 5-(3-Dimethylaminopropyl)-10,11-dihydro-5H-dibenzo(b,f)azepine HSDB 3100 5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(dimethylamino)propyl)- Imipramina [INN-Spanish] 5H-Dibenz[b,f]azepine, 5-[3-(dimethylamino)propyl]-10,11-dihydro- Imizin [ Show all ]
Inchi Key	BCGWQEUPMDMJNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
PubChem CID	3696
ChEMBL	CHEMBL11
IUPHAR	357
BindingDB	50010859
DrugBank	DB00458
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	102.0 nM	PMID9686407	BindingDB
Ki	160.0 nM	PMID8876023	BindingDB
Ki	217.0 nM	PMID2530094	BindingDB

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218