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	CHEMBL118672
Molecular formula	C27H27N7O2
IUPAC name	N,N-diethyl-5-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-oxo-3H-pyrido[2,3-b][1,4]diazepine-8-carboxamide
Molecular weight	481.56
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.6
Synonyms	BDBM50033230 N,N-Diethyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-oxo-5-methyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine-8-carboxamide 5-Methyl-2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4-oxo-4,5-dihydro-3H-pyrido[3,4-b][1,4]diazepine-8-carboxylic acid diethylamide
Inchi Key	BKCBZQAFYITIIP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27N7O2/c1-5-33(6-2)27(36)19-13-22-26(29-15-19)32(4)25(35)14-21(31-22)18-7-9-20(10-8-18)34-17(3)30-23-16-28-12-11-24(23)34/h7-13,15-16H,5-6,14H2,1-4H3
PubChem CID	10480355
ChEMBL	CHEMBL118672
IUPHAR	N/A
BindingDB	50033230
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
25647	Platelet-activating factor receptor	P25105	PTAFR	Homo sapiens (Human)	342
25648	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342

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