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	792173-99-0
Molecular formula	C17H13N5O2
IUPAC name	1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Molecular weight	319.324
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.0
Synonyms	CM-2153 GTPL1703 N-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl-Urea SB-334867 free base SB334867A ZB000673 1-(2-methylbenzo[d]oxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea AC1O7H28 BC280348 D0UZ4J I06-2256 s7585 SB-334867A SR-01000597554-1 3013AH AJ-08317 BN0630 EX-A444 MolPort-003-983-831 SB-334867 SB334867 free base Urea,N-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl- 1-(2-methylbenzoxazole-6-yl)-3-[1,5]naphthyridine-4-yl urea AKOS005146031 CS-2748 HMS3268O14 NCGC00025327-01 SB-334867(freebase) SCHEMBL496853 ZINC8794 ACM249889643 BCP28004 BRD-K41567364-001-01-2 DB-025472 KB-309133 SB 334867 SB19535 TC-063044 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea 4CA-1139 AK-31955 CHEMBL291536 FT-0704742 N-(2-METHYL-6-BENZOXAZOLYL)-N'-1,5-NAPHTHYRIDIN-4-YL UREA SB-334867 (free base) SB334867/SB-334867 Urea,N-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl-, hydrochloride (1:1) 1-(2-Methylbenzo[d]oxazol-6-yl)-1-(1,5-naphthyridin-4-yl)urea A15814 AX8141048 CTK5E6591 HY-10895A QC-11750 SB-334867, >=98% (HPLC) SR-01000597554 249889-64-3 ACT06542 BDBM50384416 CHEBI:92733 EX-8460 KS-00001CTT SB-334,867 SB334867 Tocris-1960 1-(2-Methyl-benzooxazol-6-yl)-3-[1,5]naphthyridin-4-yl-urea AKMNUCBQGHFICM-UHFFFAOYSA-N [ Show all ]
Inchi Key	AKMNUCBQGHFICM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
PubChem CID	6604926
ChEMBL	CHEMBL291536
IUPHAR	1703
BindingDB	50384416
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
7697	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
7698	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
7695	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
7696	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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