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	CHEMBL309118
Molecular formula	C27H25Cl2N3O2
IUPAC name	N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-9-oxofluorene-4-carboxamide
Molecular weight	494.416
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.6
Synonyms	9-Oxo-9H-fluorene-4-carboxylic acid {3-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-propyl}-amide BDBM50104129 N-[3-[4-(2,3-Dichlorophenyl)piperazino]propyl]-9-oxo-9H-fluorene-4-carboxamide
Inchi Key	CVJYJKRPDVXLEY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H25Cl2N3O2/c28-22-10-4-11-23(25(22)29)32-16-14-31(15-17-32)13-5-12-30-27(34)21-9-3-8-20-24(21)18-6-1-2-7-19(18)26(20)33/h1-4,6-11H,5,12-17H2,(H,30,34)
PubChem CID	11762743
ChEMBL	CHEMBL309118
IUPHAR	N/A
BindingDB	50104129
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
51515	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
51516	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
51513	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
51514	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446
51512	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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