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	n-phenylpyridine-2-carbothioamide
Molecular formula	C12H10N2S
IUPAC name	N-phenylpyridine-2-carbothioamide
Molecular weight	214.286
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.6
Synonyms	13225-84-8 MLS000736600-02 NSC-45291 SR-01000389065-1 CTK1G7013 N-phenyl-2-pyridinecarbothioamide Pyridine-2-carbothioic acid phenylamide AKOS000361103 MLS000532669 N-phenylthiopicolinamide SMR000137608 2-Pyridinecarbothioamide, N-phenyl- CHEMBL114544 MLS000736600-03 NSC45291 thiopicolinanilide AC1LFSSO HMS2184O17 N-phenyl-pyridine-2-carbothioamide Pyridinecarbothioamide, N-phenyl- BDBM79975 MLS000736600 N2-phenylpyridine-2-carbothioamide SR-01000389065 50306-93-9 cid_759327 MolPort-001-786-430 Oprea1_066518 ZINC4557220 AC1Q7EKC MCULE-9797027351 SCHEMBL2744859 [ Show all ]
Inchi Key	HOMILEBHBIPJEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
PubChem CID	759327
ChEMBL	CHEMBL114544
IUPHAR	N/A
BindingDB	79975
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
120119	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
120121	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
120120	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
120118	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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