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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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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Gastrin/cholecystokinin type B receptor
Species	Rattus norvegicus (Rat)
Gene	Cckbr
Synonym	CHOLREC Cholecystokinin-2 receptor CCK2-R CCK2 receptor CCK-BR CCK-B/gastrin receptor CCK-B receptor gastrin/cholecystokinin type B receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	452
Amino acid sequence	MELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProt	P30553
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	CHEMBL3508
IUPHAR	77
DrugBank	N/A

Ligand

Name	CHEMBL329524
Molecular formula	C25H37N5O5
IUPAC name	tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight	487.601
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	2.3
Synonyms	[1-[1-(1-Carbamoyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester BDBM50026294
Inchi Key	HKHAAIISQKVNDB-YSSFQJQWSA-N
Inchi ID	InChI=1S/C25H37N5O5/c1-14(2)11-19(22(32)28-15(3)21(26)31)29-23(33)20(30-24(34)35-25(4,5)6)12-16-13-27-18-10-8-7-9-17(16)18/h7-10,13-15,19-20,27H,11-12H2,1-6H3,(H2,26,31)(H,28,32)(H,29,33)(H,30,34)/t15-,19-,20-/m0/s1
PubChem CID	44326837
ChEMBL	CHEMBL329524
IUPHAR	N/A
BindingDB	50026294
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ED50	150.0 umol.kg-1	PMID3973899	ChEMBL

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