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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.
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GPCR

Name	B1 bradykinin receptor
Species	Rattus norvegicus (Rat)
Gene	Bdkrb1
Synonym	KB1 bradykinin receptor BKR1 BK-1 receptor B1R B1BKR B1 receptor Kinin B1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	337
Amino acid sequence	MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL
UniProt	P97583
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	CHEMBL4613
IUPHAR	41
DrugBank	N/A

Ligand

Name	chroman 28
Molecular formula	C34H37N3O4S
IUPAC name	(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
Molecular weight	583.747
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.2
Synonyms	GTPL664 (R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-7-(piperidin-1-ylmethyl)chroman-4-yl)propanamide BDBM50203200 (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)chroman-4-yl]propanamide SCHEMBL4136892 D0L3GT (R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl)propanamide CHEMBL415848 [ Show all ]
Inchi Key	IQPWKAIEQBOLPJ-ROJLCIKYSA-N
Inchi ID	InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
PubChem CID	16108961
ChEMBL	CHEMBL415848
IUPHAR	664
BindingDB	50203200
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.16228 - 5.01187 nM	PMID17243660	IUPHAR
IC50	4.0 nM	PMID17243660	BindingDB,ChEMBL

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