Zhang Lab

National University of Singapore

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 ●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	ethyl 3-amino-5-phenylthiophene-2-carboxylate
Molecular formula	C13H13NO2S
IUPAC name	ethyl 3-amino-5-phenylthiophene-2-carboxylate
Molecular weight	247.312
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	2-Thiophenecarboxylicacid, 3-amino-5-phenyl-, ethyl ester AC1Q330W CHEMBL1371383 ethyl 3-azanyl-5-phenyl-thiophene-2-carboxylate L-5350 TR-027825 3-Amino-5-phenylthiophene-2-carboxylic acid ethyl ester ALBB-021927 DB-014775 FT-0682291 MolPort-001-920-735 1838AF A10580 BDBM49079 ethyl 3-amino-5-phenyl-2-thiophenecarboxylate I04-1347 SMR000069098 3-amino-5-phenyl-2-thiophenecarboxylic acid ethyl ester ACMC-20edqs cid_838333 ethyl3-amino-5-phenylthiophene-2-carboxylate MCULE-3893537141 Z56910429 ALFMTFUIVUKCCM-UHFFFAOYSA-N DTXSID70356940 HMS1416N21 SBB077820 2-Thiophenecarboxylic acid, 3-amino-5-phenyl-, ethyl ester AC1LHI8E CHEBI:121667 IFLab1_001715 STL387984 ZINC365893 3-Amino-5-phenyl-thiophene-2-carboxylic acid ethyl ester AKOS000121976 CTK5G0717 F0412-0168 MLS000058832 88534-50-3 BAS 00281165 EN300-05019 HMS2416I08 SCHEMBL1882680 [ Show all ]
Inchi Key	ALFMTFUIVUKCCM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H13NO2S/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
PubChem CID	838333
ChEMBL	N/A
IUPHAR	N/A
BindingDB	49079
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
8226	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417