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 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	CYPROHEPTADINE
Molecular formula	C21H21N
IUPAC name	1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
Molecular weight	287.406
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	4.7
Synonyms	CHEBI:4046 Tocris-0996 Cyproheptadiene D00TLN DSSTox_CID_2872 1-Methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine GTPL277 16621-EP2295409A1 Lopac0_000246 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine NCGC00015252-04 NCGC00015252-13 BIDD:GT0324 Periactin (TN) BRN 1685976 Prestwick1_000103 Reactin Ciproheptadina UNII-2YHB6175DO Cyproheptadine (INN) DB00434 DTXSID8022872 1-methyl-4-{tricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine HSDB 3048 MK 141 4-(dibenzo[[?],[?]][7]annulen-11-ylidene)-1-methyl-piperidine NCGC00015252-07 AKOS004119847 NCGC00024293-05 BPBio1_000155 Peritol C06935 CCG-204341 SPBio_002025 Ciprovit (TN) Cyproheptadinum [INN-Latin] DL-136 FT-0631755 129C033 L001016 4-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidene NCGC00015252-02 5-(1-Methylpiperidylidene-4)-5H-dibenzo(a,d)cyclopheptene NCGC00015252-10 BBL010977 PDSP2_001213 BRD-K28143534-003-03-6 Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl- Tox21_110112 Cyproheptadin D07765 DSSTox_GSID_22872 1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine H2428 16621-EP2314590A1 LS-114933 4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine NCGC00015252-05 AC1L1ER8 NCGC00024293-02 Biomol-NT_000131 Periactine BSPBio_000086 Prestwick2_000103 SBI-0050234.P002 Ciproheptadina [INN-Spanish] Viternum Cyproheptadine [INN:BAN] Dibenzosuberonone/Cyproheptadine EINECS 204-928-9 1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine JJCFRYNCJDLXIK-UHFFFAOYSA-N 2YHB6175DO MolPort-002-507-777 4-Dibenzo[a,d]cyclohepten-5-ylidene-1-methyl-piperidine NCGC00015252-08 AN-43631 Oprea1_498140 BRD-K28143534-001-01-4 Peritol (Salt/Mix) CAS-129-03-3 CCRIS 5232 STK802098 Cypoheptadine cyproheptidine Dronactin Glutodina 16621-EP2281563A1 Lopac-C-6022 4-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine NCGC00015252-03 5-20-08-00500 (Beilstein Handbook Reference) NCGC00015252-12 BDBM50017721 Periactin BRD-K28143534-003-14-3 Prestwick0_000103 Prestwick3_000103 CHEMBL516 Tox21_110112_1 DSSTox_RID_76768 1-Methyl-4-(5H-dibenzo[a,d]cycloheptenylidene)piperidine HMS2090P20 16621-EP2316459A1 MCULE-3352282545 4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine NCGC00015252-06 AJ-24591 NCGC00024293-04 BPBio1_000096 Periactinol C-36401 SCHEMBL4021 Ciprovit ZINC968264 Cyproheptadinum Dihexazin Eiproheptadine 129-03-3 KB-238615 4-(5-Dibenzo(a,d)cyclohepten-5-ylidine)-1-methylpiperidine NCGC00015252-01 41354-29-4 NCGC00015252-09 Axoprol PDSP1_001229 BRD-K28143534-001-03-0 Piperidine, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methyl- CAS-969-33-5 [ Show all ]
Inchi Key	JJCFRYNCJDLXIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
PubChem CID	2913
ChEMBL	CHEMBL516
IUPHAR	277
BindingDB	50017721
DrugBank	DB00434
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	122.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	70.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	977.24 nM	PMID6225026	BindingDB
Ki	5248.07 nM	PMID6225026	BindingDB

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