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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Neuropeptides B/W receptor type 1
Species	Homo sapiens (Human)
Gene	NPBWR1
Synonym	G protein-coupled receptor 7 G-protein coupled receptor 7 GPR7 neuropeptides B/W receptor type 1 NPBW1 receptor
Disease	N/A
Length	328
Amino acid sequence	MDNASFSEPWPANASGPDPALSCSNASTLAPLPAPLAVAVPVVYAVICAVGLAGNSAVLYVLLRAPRMKTVTNLFILNLAIADELFTLVLPINIADFLLRQWPFGELMCKLIVAIDQYNTFSSLYFLTVMSADRYLVVLATAESRRVAGRTYSAARAVSLAVWGIVTLVVLPFAVFARLDDEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVSTICVLYTTLLCRLHAMRLDSHAKALERAKKRVTFLVVAILAVCLLCWTPYHLSTVVALTTDLPQTPLVIAISYFITSLSYANSCLNPFLYAFLDASFRRNLRQLITCRAAA
UniProt	P48145
Protein Data Bank	N/A
GPCR-HGmod model	P48145
3D structure model	This predicted structure model is from GPCR-EXP P48145.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293293
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MLS000830374
Molecular formula	C24H26F3N3O3
IUPAC name	methyl (6S)-3-benzyl-2-(2-methoxyethylimino)-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
Molecular weight	461.485
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.5
Synonyms	HMS2203E22 CHEMBL1335685 methyl (4S)-1-benzyl-2-(2-methoxyethylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate (4S)-1-benzyl-2-(2-methoxyethylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester SMR000672085 BDBM62142 cid_24789235 methyl (4S)-2-(2-methoxyethylamino)-6-methyl-1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate (4S)-2-(2-methoxyethylamino)-6-methyl-1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester [ Show all ]
Inchi Key	AZIFWENGHFPMIR-NRFANRHFSA-N
Inchi ID	InChI=1S/C24H26F3N3O3/c1-16-20(22(31)33-3)21(18-10-7-11-19(14-18)24(25,26)27)29-23(28-12-13-32-2)30(16)15-17-8-5-4-6-9-17/h4-11,14,21H,12-13,15H2,1-3H3,(H,28,29)/t21-/m0/s1
PubChem CID	135693566
ChEMBL	CHEMBL1335685
IUPHAR	N/A
BindingDB	62142
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	10642.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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