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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	AC1Q71CO Benzotripto [INN-Spanish] EINECS 254-500-0 LS-174785 NCGC00246028-01 C18H15ClN2O3 KBio2_002186 MLS000760874 SMR000372176 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 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
279609	Cholecystokinin receptor type A	Q63931	CCKAR	Cavia porcellus (Guinea pig)	430
279608	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452
279607	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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