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	CP55940
Molecular formula	C24H40O3
IUPAC name	2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
Molecular weight	376.581
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	6.1
Synonyms	BDBM50072775 CP 55,940 CP-56,667 GTPL734 MLS002153159 Phenol, 5-(1,1-dimethylheptyl)-2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, rel- SR-01000075740-4 2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol CCG-204284 CP 868388 D0D6OH KFY70972J5 NCGC00024896-03 rel-5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-phenol UNII-8YX8JK1BQG component YNZFFALZMRAPHQ-SYYKKAFVSA-N (1r,3r,4r)-3-[2-hydroxy-4-(1,1-dimethylheptyl)phenyl]-4-(3-hydroxypropyl)cyclohexan-1-ol 5-(1,1-Dimethyl-heptyl)-2-[(4R,6R)-5-hydroxy-2-((R)-3-hydroxy-propyl)-cyclohexyl]-phenol 86687-39-0 CHEMBL559612 CP-55940 [(-)-AC],XIV FT-0641893 LP00189 PDSP2_000199 SR-01000075740 ZINC2568244 (S)-3-[3-(1-Carboxy-1-methylethoxy)phenyl]piperidine-1-carboxylic Acid 4-Isopropylbenzyl Ester AKOS024458710 C 1112 CP 55940 CP55,940 HMS2236E04 NCGC00015212-01 Phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, (1alpha,2beta,5alpha)- SR-01000597481 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol 83002-04-4 CHEMBL48552 CP-55,940 D0EQ0T Lopac-C-1112 NCGC00024896-04 SCHEMBL120410 UNII-KFY70972J5 (3S)-3-[3-(1-Carboxy-1-methylethoxy)phenyl]-1-piperidinecarboxylic Acid 1-[[4-(1-Methylethyl)phenyl]methyl] Ester 5-(1,1-Dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)phenol AC1L2XOK ChEMBL_75020 CP-55940, >98% (HPLC), powder GTPL730 LS-104511 PDSP2_000671 SR-01000075740-1 [3H]CP55940 2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol AN-36089 C24H40O3 CP 56667 HMS3649D17 NCGC00024896-02 Phenol, 5-(1,1-dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-,(1alpha,2beta,5alpha)- SR-01000597481-1 (+-)-CP 55940 5-(1,1-Dimethyl-heptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxy-propyl)-cyclohexyl]-phenol 83003-12-7 CP-55940 EU-0100189 Lopac0_000189 NCGC00024896-05 SMR001230653 YNZFFALZMRAPHQ-SYYKKAFVSA-N (?)-CP-55940 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol AC1Q59U5 [ Show all ]
Inchi Key	YNZFFALZMRAPHQ-SYYKKAFVSA-N
Inchi ID	InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
PubChem CID	104895
ChEMBL	CHEMBL559612
IUPHAR	734, 730
BindingDB	50072775
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
415037	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
415039	Cannabinoid receptor 1	P20272	Cnr1	Rattus norvegicus (Rat)	473
415041	Cannabinoid receptor 1	P47746	Cnr1	Mus musculus (Mouse)	473
415038	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
415046	Cannabinoid receptor 2	Q9QZN9	Cnr2	Rattus norvegicus (Rat)	360
415047	Cannabinoid receptor 2	P47936	Cnr2	Mus musculus (Mouse)	347
415045	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
415040	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
415044	N-arachidonyl glycine receptor	Q14330	GPR18	Homo sapiens (Human)	331
415043	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
415042	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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