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GLASS

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GPCR

Name	Glucagon receptor
Species	Homo sapiens (Human)
Gene	GCGR
Synonym	GL-R GGR GR glucagon receptor
Disease	Diabetes Type 2 diabetes Non-insulin dependent diabetes Obesity; Diabetes Type 1 diabetes Hypoglycemia [ Show all ]
Length	477
Amino acid sequence	MPPCQPQRPLLLLLLLLACQPQVPSAQVMDFLFEKWKLYGDQCHHNLSLLPPPTELVCNRTFDKYSCWPDTPANTTANISCPWYLPWHHKVQHRFVFKRCGPDGQWVRGPRGQPWRDASQCQMDGEEIEVQKEVAKMYSSFQVMYTVGYSLSLGALLLALAILGGLSKLHCTRNAIHANLFASFVLKASSVLVIDGLLRTRYSQKIGDDLSVSTWLSDGAVAGCRVAAVFMQYGIVANYCWLLVEGLYLHNLLGLATLPERSFFSLYLGIGWGAPMLFVVPWAVVKCLFENVQCWTSNDNMGFWWILRFPVFLAILINFFIFVRIVQLLVAKLRARQMHHTDYKFRLAKSTLTLIPLLGVHEVVFAFVTDEHAQGTLRSAKLFFDLFLSSFQGLLVAVLYCFLNKEVQSELRRRWHRWRLGKVLWEERNTSNHRASSSPGHGPPSKELQFGRGGGSQDSSAETPLAGGLPRLAESPF
UniProt	P47871
Protein Data Bank	5yqz, 5xez, 5ee7, 5xf1
GPCR-HGmod model	P47871
3D structure model	This structure is from PDB ID 5yqz.
BioLiP	BL0379634,BL0379635, BL0402227, BL0379636,BL0379637, BL0343437
Therapeutic Target Database	T60182, T87875
ChEMBL	CHEMBL1985
IUPHAR	251
DrugBank	N/A

Ligand

Name	MK 0893
Molecular formula	C32H27Cl2N3O4
IUPAC name	3-[[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
Molecular weight	588.485
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	6.8
Synonyms	DTXSID40468726 MK0893 3736AC beta-Alanine, N-((4-((1S)-1-(3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)phenyl)carbonyl)- KB-78873 SCHEMBL675777 870823-12-4 CS-0324 MK-0893 ZINC68250425 3-[[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid AKOS016011529 GTPL9135 MolPort-027-836-665 C32H27Cl2N3O4 CHEMBL1933349 KS-00001DU8 UNII-CCP2U6LWTP DB12044 MK-0893-005 3-[[4-[(1~{s})-1-[3-[3,5-Bis(Chloranyl)phenyl]-5-(6-Methoxynaphthalen-2-Yl)pyrazol-1-Yl]ethyl]phenyl]carbonylamino]propanoic Acid BDBM50360601 CCP2U6LWTP HY-50663 N-[(4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)carbonyl]-beta-alanine 5MV compound 9m [PMID: 22708876] W-5484 (S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid A3608 [ Show all ]
Inchi Key	DNTVJEMGHBIUMW-IBGZPJMESA-N
Inchi ID	InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
PubChem CID	11570626
ChEMBL	CHEMBL1933349
IUPHAR	9135
BindingDB	50360601
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	6.6 nM	PMID22708876	BindingDB,ChEMBL
IC50	6.6 nM	PMID22708876	IUPHAR
IC50	15.7 nM	PMID22708876	ChEMBL
IC50	16.0 nM	PMID22708876	BindingDB
Inhibition	12.0 %	PMID22708876	ChEMBL
Inhibition	44.0 %	PMID22708876	ChEMBL
Inhibition	66.0 %	PMID22708876	ChEMBL
Kb	8.5 nM	PMID22708876	ChEMBL
Kb	266.0 nM	PMID22119466	ChEMBL
Kb	270.0 nM	PMID23562063	ChEMBL
Ki	70.0 nM	PMID22119466	BindingDB,ChEMBL

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