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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Rutaecarpine
Molecular formula	C18H13N3O
IUPAC name	3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
Molecular weight	287.322
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	1,1'-Hexamethylenebis (3,3-dimethylurea) Rutacarpine 7,8-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one s2349 ACVGWSKVRYFWRP-UHFFFAOYSA-N SW220226-1 C09238 DTXSID00232884 HY-N0147 J10443 MLS006011796 NCGC00015892-06 NSC 258317 Oprea1_313284 3,13,21-triazapentacyclo[11.8.0.0;{2,10}.0;{4,9}.0;{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one Rutaecarpine (Rutecarpine) 8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one SMR001230721 ALBB-028246 UPCMLD-DP040 CHEBI:8922 GS-3618 Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro- LP01091 NCGC00015892-01 NCGC00094364-01 R0102 Rutecarpine AB0019845 SR-01000076104-6 BCP21309 ZINC898237 cid_65752 HMS3374B10 Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13-dihydro- MFCD00210551 NCGC00015892-04 NCGC00261776-01 210R551 Rutaecarpin 8,13-Dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one SCHEMBL288507 AK168161 Tox21_501091 C18H13N3O EU-0101091 I06-1291 Lopac-R-3277 MolPort-003-959-449 NCGC00015892-07 NSC-258317 Q-100850 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-14-one Rutaecarpine, >98% (HPLC) 84-26-4 SR-01000076104 AN-42276 UPCMLD-DP040:001 HMS2233M24 Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro- (9CI) LS-83901 NCGC00015892-02 NCGC00094364-03 Rhetine 6,7-[Imino(1,2-phenylene)]-8,9-dihydro-11H-pyrido[2,1-b]quinazoline-11-one Rutecarpine (8CI) AC1L23W8 STL146385 BDBM50131046 CS-6160 HMS3656C09 Indolo[2',4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro- MLS002153304 NCGC00015892-05 NCI60_002069 NSC258317 3,13,21-triazapentacyclo[11.8.0.0(2),(1).0,.0(1),(2)]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one 8,13-Dihydro-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one SMP2_000103 AKOS005720935 UNII-8XZV289PRY CCG-205168 FT-0653229 InChI=1/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H Lopac0_001091 N1344 NCGC00015892-08 R 3277 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one Rutaecarpine,(S) 8XZV289PRY SR-01000076104-2 BBL028393 V0371 CHEMBL85139 HMS3263K04 Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro- MCULE-8799347749 NCGC00015892-03 NCGC00094364-04 [ Show all ]
Inchi Key	ACVGWSKVRYFWRP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
PubChem CID	65752
ChEMBL	CHEMBL85139
IUPHAR	N/A
BindingDB	50131046
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
1969	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
1971	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
463177	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
1970	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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