Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL61940
Molecular formulaC22H24N2O3
IUPAC name(2S,9R)-18-(cyclopropylmethyl)-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 weight364.445
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.4
SynonymsN/A
Inchi KeyAVZPNFQSUXLGJJ-WTZMOYRQSA-N
Inchi IDInChI=1S/C22H24N2O3/c25-15-4-3-13-9-16-22(26)10-14-5-7-23-18(14)20-21(22,17(13)19(15)27-20)6-8-24(16)11-12-1-2-12/h3-5,7,12,16,20,23,25-26H,1-2,6,8-11H2/t16?,20-,21?,22+/m0/s1
PubChem CID44302651
ChEMBLCHEMBL61940
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15798Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
15799Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
15800Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
15796Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
15797Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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