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	MLS000553312
Molecular formula	C22H26Cl2N4O2
IUPAC name	N-cyclohexyl-N'-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]propanediamide
Molecular weight	449.376
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.4
Synonyms	N-cyclohexyl-N''-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]propanediamide SMR000177447 BAS 02210469 N-cyclohexyl-N''-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]propanediamide CHEMBL3209047 N-cyclohexyl-N''-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]propanediamide AC1O1ZH1 MLS002534647 BDBM96906 N-cyclohexyl-N''-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]malonamide cid_6161144 N-cyclohexyl-N'-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]propanediamide AKOS000614634 N-Cyclohexyl-2-[1-(3,4-dichloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene-hydrazinocarbonyl]-acetamide [ Show all ]
Inchi Key	ABFWCJHIHKBIMJ-MXAYSNPKSA-N
Inchi ID	InChI=1S/C22H26Cl2N4O2/c1-14-10-16(15(2)28(14)18-8-9-19(23)20(24)11-18)13-25-27-22(30)12-21(29)26-17-6-4-3-5-7-17/h8-11,13,17H,3-7,12H2,1-2H3,(H,26,29)(H,27,30)/b25-13-
PubChem CID	6161144
ChEMBL	CHEMBL3209047
IUPHAR	N/A
BindingDB	N/A
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
814	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
813	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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