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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	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	CHEMBL318475
Molecular formula	C37H40N4O7
IUPAC name	2-[[(3R)-2-[(2R,5S)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carbonyl]-5-phenylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetic acid
Molecular weight	652.748
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM50288463 SCHEMBL9542782 (R)-2-{(2R,5S)-2-[(R)-3-(Carboxymethyl-carbamoyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-phenyl-pyrrolidine-1-carbonyl}-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
Inchi Key	CVNADDFZCBWJEZ-UJOGNLFBSA-N
Inchi ID	InChI=1S/C37H40N4O7/c1-37(2,3)48-36(47)41-27-16-10-9-14-25(27)20-31(41)35(46)40-28(23-11-5-4-6-12-23)17-18-29(40)34(45)39-22-26-15-8-7-13-24(26)19-30(39)33(44)38-21-32(42)43/h4-16,28-31H,17-22H2,1-3H3,(H,38,44)(H,42,43)/t28-,29+,30+,31+/m0/s1
PubChem CID	44331826
ChEMBL	CHEMBL318475
IUPHAR	N/A
BindingDB	50288463
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	27.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:24:2971	BindingDB,ChEMBL

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