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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Delta-type opioid receptor
Species	Sus scrofa (Pig)
Gene	OPRD1
Synonym	D-OR-1 DOR-1
Disease	N/A for non-human GPCRs
Length	228
Amino acid sequence	GIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILVITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAAL
UniProt	P79291
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4103
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Homocysteine thiolactone
Molecular formula	C4H7NOS
IUPAC name	(3S)-3-aminothiolan-2-one
Molecular weight	117.166
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	-0.1
Synonyms	L-Homocysteine thiolactone (3S)-3-aminothiolan-2-one CAS_134505 FCH932421 PDSP2_001257 06DCC220-D06A-4793-8958-6383A1C2218C AJ-112267 KB-211461 UNII-D5H88XF24X component KIWQWJKWBHZMDT-VKHMYHEASA-N 2(3H)-Thiophenone, 3-aminodihydro-, (S)- AX8133745 NSC_134505 (S)-3-aminodihydro-2(3H)-thiophenone AC1L34Q6 CHEBI:60315 S502 10593-85-8 AK116252 KIWQWJKWBHZMDT-VKHMYHEASA-N ZINC54009855 (3S)-3-aminodihydrothiophen-2(3H)-one 2338-04-7 BDBM86198 PDSP1_001273 (S)-3-Aminodihydrothiophen-2(3H)-one AC1Q6HVW CTK8E0354 homocysteine thiolactone hydrochloride SCHEMBL2167191 1317AA AKOS006240739 [ Show all ]
Inchi Key	KIWQWJKWBHZMDT-VKHMYHEASA-N
Inchi ID	InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1
PubChem CID	134505
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86198
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID12649361	BindingDB

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