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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	Benzotript
Molecular formula	C18H15ClN2O3
IUPAC name	(2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
Molecular weight	342.779
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.9
Synonyms	EN300-87510 LS5O682BRO QJERBBQXOMUURJ-INIZCTEOSA-N AKOS001107057 Benzotriptum KBio2_004754 MolPort-004-000-985 Spectrum_001706 (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Benzotript [INN] CTK6G9163 L-Tryptophan, N-(4-chlorobenzoyl)- N-p-chlorobenzoyl-L-tryptophane AC1M11KK Benzotripto HMS2736O06 MCULE-4451532638 SCHEMBL93960 BDBM50144035 Benzotriptum [INN-Latin] CHEMBL63544 KBio2_007322 N-(4-chlorobenzoyl)-L-tryptophan UNII-LS5O682BRO (S)-2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propionic acid Benzotripte EINECS 254-500-0 LS-174785 NCGC00246028-01 AC1Q71CO Benzotripto [INN-Spanish] KBio2_002186 MLS000760874 SMR000372176 C18H15ClN2O3 CR-501 KBioSS_002186 N-(p-Chlorobenzoyl)-L-tryptophan ZINC2539823 Benzotripte [INN-French] [ Show all ]
Inchi Key	QJERBBQXOMUURJ-INIZCTEOSA-N
Inchi ID	InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m0/s1
PubChem CID	2060890
ChEMBL	CHEMBL63544
IUPHAR	N/A
BindingDB	50144035
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	170.0 umol.kg-1	PMID3973899	ChEMBL

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