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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Histamine H2 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh2
Synonym	gastric receptor I H2 receptor H2R HH2R
Disease	N/A for non-human GPCRs
Length	358
Amino acid sequence	MEPNGTVHSCCLDSMALKVTISVVLTTLILITIAGNVVVCLAVSLNRRLRSLTNCFIVSLAATDLLLGLLVLPFSAIYQLSFTWSFGHVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLVTPVRVAISLVFIWVISITLSFLSIHLGWNSRNGTRGGNDTFKCKVQVNEVYGLVDGLVTFYLPLLIMCVTYYRIFKIAREQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEAVEGIVLWLGYANSALNPILYAALNRDFRTAYQQLFHCKFASHNSHKTSLRLNNSLLPRSQSREGRWQEEKPLKLQVWSGTELTHPQGNPIR
UniProt	P25102
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	CHEMBL4654
IUPHAR	263
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	Benzotripte [INN-French] CR-501 KBioSS_002186 N-(p-Chlorobenzoyl)-L-tryptophan ZINC2539823 AKOS001107057 Benzotriptum EN300-87510 LS5O682BRO QJERBBQXOMUURJ-INIZCTEOSA-N (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Benzotript [INN] KBio2_004754 MolPort-004-000-985 Spectrum_001706 AC1M11KK Benzotripto CTK6G9163 L-Tryptophan, N-(4-chlorobenzoyl)- N-p-chlorobenzoyl-L-tryptophane BDBM50144035 Benzotriptum [INN-Latin] HMS2736O06 MCULE-4451532638 SCHEMBL93960 (S)-2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propionic acid Benzotripte CHEMBL63544 KBio2_007322 N-(4-chlorobenzoyl)-L-tryptophan UNII-LS5O682BRO AC1Q71CO Benzotripto [INN-Spanish] EINECS 254-500-0 LS-174785 NCGC00246028-01 C18H15ClN2O3 KBio2_002186 MLS000760874 SMR000372176 [ 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
IC50	250000.0 nM	PMID3973899	BindingDB,ChEMBL

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