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	SR142948A
Molecular formula	C39H51N5O6
IUPAC name	2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
Molecular weight	685.866
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.6
Synonyms	BRD-K91243525-001-01-5 GTPL1580 MolPort-023-276-389 SR-142,948 2-[[[5-(2,6-DIMETHOXYPHENYL)-1-[4-[[[3-(DIMETHYLAMINO)PROPYL]METHYLAMINO]CARBONYL]-2-(1-METHYLETHYL)PHENYL]-1H-PYRAZOL-3-YL]CARBONYL]AMINO]-TRICYCLO[3.3.1.13,7]DECANE-2-CARBOXYLIC ACID CHEMBL2431105 KB-275336 PDSP2_001719 184162-64-9 AC1NSKNX BDBM50440738 D0OJ7S MFCD03106502 SR 142948 hydrochloride 2-[[5-(2,6-dimethoxyphenyl)-1-[4-(3-dimethylaminopropyl-methylcarbamoyl)-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS_184162-64-9 HMS3268L04 NCGC00167732-01 SR-142948 L015605 SCHEMBL7558783 ZINC3928282 2-[5-(2,6-dimethoxyphenyl)-1-[4-[N-methyl-N-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl]-3-pyrazolylcarbonylamino]-2-adamantanecarboxylic acid AKOS024457043 BDBM85050 DTXSID50415529 MLS-0437457.0001 SR 142948A 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CHEBI:93589 J-011801 PDSP1_001736 SR-142948A 184162-21-8 CHEMBL3040381 LWULHXVBLMWCHO-UHFFFAOYSA-N SR 142948 2-[[5-(2,6-dimethoxyphenyl)-1-(4-(N-(3-dimethylaminopropyl)-N-methylcarbamoyl)-2-isopropylphenyl)-1H-pyrazole3-carbonyl]amino] adamantane-2-carboxylic acid hydrochloride B7012 [ Show all ]
Inchi Key	LWULHXVBLMWCHO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
PubChem CID	5311451
ChEMBL	CHEMBL3040381
IUPHAR	1580
BindingDB	50440738, 85050
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
198396	Neurotensin receptor type 1	P20789	Ntsr1	Rattus norvegicus (Rat)	424
198397	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418
198395	Neurotensin receptor type 2	Q63384	Ntsr2	Rattus norvegicus (Rat)	416
198398	Neurotensin receptor type 2	O95665	NTSR2	Homo sapiens (Human)	410

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