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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	B1 bradykinin receptor
Species	Oryctolagus cuniculus (Rabbit)
Gene	BDKRB1
Synonym	B1R BK-1 receptor
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MASQGPLELQPSNQSQLAPPNATSCSGAPDAWDLLHRLLPTFIIAIFTLGLLGNSFVLSVFLLARRRLSVAEIYLANLAASDLVFVLGLPFWAENVRNQFDWPFGAALCRIVNGVIKANLFISIFLVVAISQDRYSVLVHPMASRRGRRRRQAQATCALIWLAGGLLSTPTFVLRSVRAVPELNVSACILLLPHEAWHWLRMVELNLLGFLLPLAAILFFNCHILASLRRRGERVPSRCGGPRDSKSTALILTLVASFLVCWAPYHFFAFLECLWQVHAIGGCFWEEFTDLGLQLSNFSAFVNSCLNPVIYVFVGRLFRTKVWELCQQCSPRSLAPVSSSRRKEMLWGFWRN
UniProt	P48748
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	CHEMBL4087
IUPHAR	N/A
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	CHEMBL415848 (R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-7-(piperidin-1-ylmethyl)chroman-4-yl)propanamide GTPL664 BDBM50203200 (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)chroman-4-yl]propanamide SCHEMBL4136892 (R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl)propanamide D0L3GT [ 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	17.0 nM	PMID17243660	BindingDB,ChEMBL

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