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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Gastrin/cholecystokinin type B receptor
Species	Canis lupus familiaris (Dog)
Gene	CCKBR
Synonym	CCK-B receptor CCK-BR CCK2-R Cholecystokinin-2 receptor
Disease	N/A for non-human GPCRs
Length	453
Amino acid sequence	MELLKLNRSAQGSGAGPGASLCRAGGALLNSSGAGNLSCEPPRLRGAGTRELELAIRVTLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVVCKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIIATWMLSGLLMVPYPVYTAVQPAGGARALQCVHRWPSARVRQTWSVLLLLLLFFVPGVVMAVAYGLISRELYLGLRFDEDSDSESRVRSQGGLRGGAGPGPAPPNGSCRPEGGLAGEDGDGCYVQLPRSRQTLELSALTAPTPGPGGGPRPYQAKLLAKKRVVRMLLVIVVLFFLCWLPLYSANTWRAFDSSGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProt	P30552
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5595
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL70380
Molecular formula	C24H22N4O2
IUPAC name	1-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
Molecular weight	398.466
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.8
Synonyms	(S)-L 365260 L 365346 118101-08-9 PDSP2_000868 1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea Oprea1_464839 SCHEMBL9843248 (3S)-1-Methyl-3-[3-(3-methylphenyl)ureido]-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea((S)L365_260) PDSP1_000882 BDBM50061220 Urea, N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(3-methylphenyl)-, (S)- [ Show all ]
Inchi Key	KDFQABSFVYLGPM-JOCHJYFZSA-N
Inchi ID	InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
PubChem CID	9887120
ChEMBL	CHEMBL70380
IUPHAR	N/A
BindingDB	50061220
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	23.0 nM	PMID2721567	BindingDB
Ki	39.0 nM	PMID2721567	BindingDB
Ki	450.0 nM	PMID2721567	BindingDB

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