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	CHEMBL60714
Molecular formula	C29H30N2O3
IUPAC name	(2S,9R)-18-(cyclopropylmethyl)-6-methyl-5-phenyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol
Molecular weight	454.57
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.0
Synonyms	N/A
Inchi Key	AMYXFPWDUQANPV-QMIJBIIGSA-N
Inchi ID	InChI=1S/C29H30N2O3/c1-16-23(18-5-3-2-4-6-18)20-14-29(33)22-13-19-9-10-21(32)26-24(19)28(29,27(34-26)25(20)30-16)11-12-31(22)15-17-7-8-17/h2-6,9-10,17,22,27,30,32-33H,7-8,11-15H2,1H3/t22?,27-,28?,29+/m0/s1
PubChem CID	44302619
ChEMBL	CHEMBL60714
IUPHAR	N/A
BindingDB	N/A
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
9369	Delta-type opioid receptor	P32300	Oprd1	Mus musculus (Mouse)	372
9366	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
9367	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
9365	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
9368	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98

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