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	4'-Chloro-2,2':6',2''-terpyridine
Molecular formula	C15H10ClN3
IUPAC name	4-chloro-2,6-dipyridin-2-ylpyridine
Molecular weight	267.716
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.0
Synonyms	CHEMBL2205805 KS-00000X34 ST069343 4'-Chloro-2,2' : 6',2"-terpyridine 4'-chloro-2.2':6'.2''-terpyridine 4-chloro-2,6-bis(pyridin-2-yl)pyridine AJ-08457 DTXSID00349885 MFCD00191930 ZB000809 4'-Chloro-2,2':6',2"-terpyridine 4'-chloro-[2,2';6',2'']-terpyridine AS-19986 C-16802 J-400573 SBB012477 ZLD0441 128143-89-5 4'-Chloro-2,2':6',2''-terpyridine, 99% 4-chloro-2,6-bis(2-pyridinyl)pyridine ACMC-1CG8D CS-W004586 KS-00001KND TR-022957 4'-Chloro-2,2',6',2''-Terpyridine 4'-Chloro-alpha,alpha',alpha''-tripyridyl 4-chloro-2,6-di(2-pyridyl)pyridine AK135157 EOS228 MolPort-001-769-401 ZINC27093 4'-chloro-2,2':6',2''-terpy-ridine 4'-chloro-[2,2';6',2'']terpyridine A805791 AX8015759 KB-145255 SCHEMBL517337 ZX-AT017569 2,2':6',2''-Terpyridine,4'-chloro- 4'-chloro-2,2';6',2''-terpyridine 4-Chloro-2,6-bis(2-pyridyl)pyridine AHEMFMCEBIJRMU-UHFFFAOYSA-N CTK8C5880 MCULE-4261236661 Z3119 4'-Chloro-2,2'6'2''-Terpyridine 4'-Chloro-[2,2'6',2']Terpyridine 4-chloro-2,6-dipyridin-2-ylpyridine AKOS015891546 FT-0617991 OR6782 zlchem 975 4-chloranyl-2,6-dipyridin-2-yl-pyridine AC1LDIRH BDBM50401354 [ Show all ]
Inchi Key	AHEMFMCEBIJRMU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
PubChem CID	667748
ChEMBL	CHEMBL2205805
IUPHAR	N/A
BindingDB	50401354
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
5472	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
5471	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
5473	C-C chemokine receptor type 8	P51685	CCR8	Homo sapiens (Human)	355

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