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:

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	ellipticine
Molecular formula	C17H14N2
IUPAC name	5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Molecular weight	246.313
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.8
Synonyms	Prestwick1_000614 BRD-K85985071-001-03-3 SMR000058370 CC-20854 VZ29809 CJ-30263 E 3380 EU-0100531 HY-15753 MLS000736786 5,11- paragraph signthorn(1/4)x>>u-6H-ssAa currency(2) cent[4,3-b]ssCsso NCGC00015411-06 519-23-3 NCGC00261216-01 AKOS024457578 BC600625 Prestwick_194 BRN 0221300 SR-01000003083-2 CCRIS 2003 CTK8F9429 Ellipticin HMS1569L10 Lopac-E-3380 NCGC00015411-01 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole NCGC00015411-09 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl- NSC 71795 BN0731 REGID_for_CID_3213 C09154 Tox21_500531 CHEMBL123 DB-052047 Ellipticine, synthetic HMS3261L03 LS-133282 117VLW7484 NCGC00015411-04 5-23-09-00417 (Beilstein Handbook Reference) NCGC00022199-04 AC1Q2GNZ Opera_ID_1748 Prestwick2_000614 BRD-K85985071-001-16-5 SPBio_002767 CCG-36483 WLN: T D6 B656 FN LMJ C1 J1 CP 5 EINECS 208-264-0 EX-A2053 ICIG 770 MLS001076505 5,11-dimethyl-2H-pyrido[4,3-b]carbazole NCGC00015411-07 55042-50-7 (tartrate) NCI60_040685 AOB6851 BCP13208 Probes1_000152 BSPBio_000548 SR-01000003083-6 CHEBI:4776 CTSPAMFJBXKSOY-UHFFFAOYSA-N HMS2096L10 Lopac0_000531 NCGC00015411-02 5,11-Dimethylpyrido[4,3-b]carbazole NCGC00015411-10 6H-Pyrido[4,3-b]carbazole,5,11-dimethyl- NSC-71795 Prestwick0_000614 BPBio1_000604 SCHEMBL138079 CAS-519-23-3 UNII-117VLW7484 cid_3213 DTXSID30199855 Elliptisine HMS3371L09 MLS000028487 33668-12-1 (hydrochloride) NCGC00015411-05 NCGC00022199-05 AC1Q2QHZ Prestwick3_000614 BRD-K85985071-001-22-3 SR-01000003083 CCG36483; NSC71795 ZINC1846592 CS-5294 elliptecine FT-0632272 K00071 MolPort-001-839-649 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole NCGC00015411-08 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl- Neuro_000031 B7382 BDBM50004233 Probes2_000130 C-15019 TCMDC-125546 D00DNY ellipticine, HCl HMS2230H10 LP00531 NCGC00015411-03 5,3-b]carbazole NCGC00022199-03 AC1L1FFE NSC71795 [ Show all ]
Inchi Key	CTSPAMFJBXKSOY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
PubChem CID	3213
ChEMBL	CHEMBL123
IUPHAR	N/A
BindingDB	50004233
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
50407	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
50406	Galanin receptor type 2	O43603	GALR2	Homo sapiens (Human)	387
50408	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
50404	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
50405	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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