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	CGP-7930
Molecular formula	C19H32O2
IUPAC name	2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
Molecular weight	292.463
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	5.7
Synonyms	3,5-bis(1,1-Dimethylethyl)-4-hydroxy-?,?-dimethyl-benzenepropanol API0007845 CGP-7930, >98% (HPLC), solid HMS2230F05 MLS002153413 NCGC00025198-02 Tocris-1513 3-(3,5-di-t-butyl-4-hydroxyphenyl)-2,2-dimethylpropanol BRD-K65786282-001-02-6 HMS3370F06 NCGC00015210-02 SCHEMBL2371710 ZINC2526560 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol AC1NNCN1 CGP 7930 EU-0100169 LP00169 NCGC00015210-05 SR-01000075738-1 3-(3 inverted exclamation marka,5 inverted exclamation marka-Di-tert-butyl-4 inverted exclamation marka-hydroxy)phenyl-2,2-dimethylpropanol BDBM50108996 CGP7930 HMS3260B19 MolPort-003-940-608 NCGC00025198-03 Tox21_500169 57717-80-3 C 0862 CHEMBL1256697 Lopac-C-0862 NCGC00015210-03 SMR001230789 2,2-di-methyl-3-(3,5-di-t-butyl-4-hydroxyphenyl)propanol 28-99-9 AKOS024456641 GTPL1079 LS-193044 NCGC00025198-01 SR-01000075738-3 3-(3',5'-Di-tert-butyl-4'-hydroxy)phenyl-2,2-dimethylpropanol BN0128 CHEBI:93152 HMS3268A09 NCGC00015210-01 NCGC00260854-01 XLWJPQQFJNGUPA-UHFFFAOYSA-N 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol ABP001026 CCG-204264 DTXSID90407620 Lopac0_000169 NCGC00015210-04 SR-01000075738 [ Show all ]
Inchi Key	XLWJPQQFJNGUPA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
PubChem CID	5024764
ChEMBL	CHEMBL1256697
IUPHAR	1079
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
395266	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
555262	Gamma-aminobutyric acid type B receptor subunit 2	O88871	Gabbr2	Rattus norvegicus (Rat)	940
395270	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
395268	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
511687	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
395267	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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