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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.
Go to the GPCR page and check other ligands which interact with it.
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	Bos taurus (Bovine)
Gene	CCKBR
Synonym	CCK-B receptor CCK-BR CCK2-R Cholecystokinin-2 receptor
Disease	N/A for non-human GPCRs
Length	454
Amino acid sequence	MELLKPNRSVLGSGPGPGASLCRSGGPLLNGSGTGNLSCEPPRIRGAGTRELELAIRVTLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVVCKAVSYFMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWMLSGLLMVPYPVYTAVQPAGPRVLQCMHRWPSARVRQTWSVLLLLLLFFVPGVVMAVAYGLISRELYLGLRFDGDSDSESQSRVGSQGGLPGGTGQGPAQANGRCRSETRLAGEDGDGCYVQLPRSRPALEMSALTAPTPGPGSGTRPAQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLTYASACVNPLVYCFMHRRFRQACLDTCTRCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProt	P79266
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	CHEMBL2720
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL405805
Molecular formula	C47H52N8O13S2
IUPAC name	(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[5-[[(2S)-2-(carboxyamino)-3-(4-sulfophenyl)propanoyl]amino]-2-methylbenzoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight	1001.1
Hydrogen bond acceptor	14
Hydrogen bond donor	11
XlogP	2.6
Synonyms	BDBM50003207 N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[2-{5-[2-carboxyamino-3-(4-sulfo-phenyl)-propionylamino]-2-methyl-benzoylamino}-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid
Inchi Key	ZBMMMQVJBMBKMZ-MQDBWYGVSA-N
Inchi ID	InChI=1S/C47H52N8O13S2/c1-26-12-15-30(50-44(61)37(55-47(64)65)21-28-13-16-31(17-14-28)70(66,67)68)23-33(26)42(59)53-38(22-29-25-49-34-11-7-6-10-32(29)34)45(62)51-35(18-19-69-2)43(60)54-39(24-40(56)57)46(63)52-36(41(48)58)20-27-8-4-3-5-9-27/h3-17,23,25,35-39,49,55H,18-22,24H2,1-2H3,(H2,48,58)(H,50,61)(H,51,62)(H,52,63)(H,53,59)(H,54,60)(H,56,57)(H,64,65)(H,66,67,68)/t35-,36-,37-,38-,39-/m0/s1
PubChem CID	44348902
ChEMBL	CHEMBL405805
IUPHAR	N/A
BindingDB	50003207
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5.0 nM	PMID1433191	BindingDB,ChEMBL

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