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	Vilazodone
Molecular formula	C26H27N5O2
IUPAC name	5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight	441.535
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.0
Synonyms	ST24044194 Vilazodone [USAN:INN] 5 -(4-(4-(5 -Cyano-1H-indol-3 -yl)butyl)piperazin-1 -yl)benzofuran-2-carboxamide 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide AJ-26849 BCP05225 D0X6BV FT-0675813 PB25213 S239O2OOV3 vilazodona yl}-1-benzofuran-2-carboxamide 1-[4-(5-cyanoindol-3-yl)butyl]-4-(2-carbamoyl-benzofuran-5-yl)-piperazine 5-[4-[4-(5-Cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxamide AN-489 EMD 515259 HY-14262 SCHEMBL650682 Vilazodone (USAN/INN) 163521-12-8 5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide AC-25886 AX8156424 CTK8C0046 EX-A174 MolPort-005-933-319 TC-152681 vilazodonum 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxamide 5-{4-[4-(5-cyano-3-indolyl)butyl]-1-piperazinyl}benzo-furan-2-carboxamide AK-61011 BDBM50151982 GTPL7427 Q-4354 SB-659746-A ZINC1542113 1-[4-(5-cyanoindol-3-yl)butyl]-4-(2-carbamoylbenzofuran-5-yl)piperazine 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide AB0044260 ANW-63936 CHEMBL439849 EMD-515259 KB-62239 SGEGOXDYSFKCPT-UHFFFAOYSA-N Vilazodone [INN] 4CA-1322 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1- AC1OCFA2 BC203239 D09698 F0001-2418 NCGC00371130-06 UNII-S239O2OOV3 Y1282 5-(4-(4-(5-Cyanoindol-3-yl)butyl)-1-piperazinyl)-2-benzofurancarboxamide AKOS015924744 CHEBI:70707 DB06684 HSDB 8197 QCR-275 SB20296 Vilazodone (TN) 1-[4-(5-cyanoindol-3-yl)butyl]4-(2-carbamoyl-benzofuran-5-yl)-piperazine 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide AB01563299_01 API0008118 CS-0550 EMD-68-843 L001518 [ Show all ]
Inchi Key	SGEGOXDYSFKCPT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
PubChem CID	6918314
ChEMBL	CHEMBL439849
IUPHAR	7427
BindingDB	50151982
DrugBank	DB06684
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
313473	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
313479	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
313480	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
313483	5-hydroxytryptamine receptor 1D	P28565	Htr1d	Rattus norvegicus (Rat)	374
313487	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
313485	5-hydroxytryptamine receptor 2C	P08909	Htr2c	Rattus norvegicus (Rat)	460
313475	5-hydroxytryptamine receptor 4	Q62758	Htr4	Rattus norvegicus (Rat)	406
554817	5-hydroxytryptamine receptor 4	Q13639	HTR4	Homo sapiens (Human)	388
313478	5-hydroxytryptamine receptor 6	P31388	Htr6	Rattus norvegicus (Rat)	436
313477	5-hydroxytryptamine receptor 7	P32305	Htr7	Rattus norvegicus (Rat)	448
313476	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
313482	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
313488	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446
554816	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
313474	D(4) dopamine receptor	P30729	Drd4	Rattus norvegicus (Rat)	387
554815	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487

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