Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

Namecid_5281600
Molecular formulaC30H18O10
IUPAC name8-[5-(4,7-dihydroxy-5-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular weight538.464
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogP4.4
SynonymsBDBM50129952
2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one
Inchi KeyQYDURWHTEIUTEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H
PubChem CID136029157
ChEMBLN/A
IUPHARN/A
BindingDB50129952
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 33
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
5662555-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5662495-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5662635-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
5662775-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5662485-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5662565-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5662725-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5662615-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
566267Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
566273Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
566259Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
566252Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
566268Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
566254Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
566276Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
566271D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
566260D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
566266D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
566251D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
566253D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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