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GLASS

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

Name	Probable G-protein coupled receptor 174
Species	Homo sapiens (Human)
Gene	GPR174
Synonym	FKSG79 GPR174
Disease	N/A
Length	333
Amino acid sequence	MPANYTCTRPDGDNTDFRYFIYAVTYTVILVPGLIGNILALWVFYGYMKETKRAVIFMINLAIADLLQVLSLPLRIFYYLNHDWPFGPGLCMFCFYLKYVNMYASIYFLVCISVRRFWFLMYPFRFHDCKQKYDLYISIAGWLIICLACVLFPLLRTSDDTSGNRTKCFVDLPTRNVNLAQSVVMMTIGELIGFVTPLLIVLYCTWKTVLSLQDKYPMAQDLGEKQKALKMILTCAGVFLICFAPYHFSFPLDFLVKSNEIKSCLARRVILIFHSVALCLASLNSCLDPVIYYFSTNEFRRRLSRQDLHDSIQLHAKSFVSNHTASTMTPELC
UniProt	Q9BXC1
Protein Data Bank	N/A
GPCR-HGmod model	Q9BXC1
3D structure model	This predicted structure model is from GPCR-EXP Q9BXC1.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3562167
IUPHAR	145
DrugBank	N/A

Ligand

Name	D0M2RI
Molecular formula	C36H58N6O14S
IUPAC name	2-[(1R)-1-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]butanedioic acid
Molecular weight	830.948
Hydrogen bond acceptor	15
Hydrogen bond donor	11
XlogP	1.4
Synonyms	AcAsp-Gla-Leu-Ile-Cha-Cys
Inchi Key	SBWANKMZZMQXKQ-JHOOERKCSA-N
Inchi ID	InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(51)39-23(13-20-10-8-7-9-11-20)30(48)40-25(16-57)36(55)56)41-31(49)22(12-17(2)3)38-34(52)29(21(35(53)54)14-26(44)45)42-32(50)24(15-27(46)47)37-19(5)43/h17-18,20-25,28-29,57H,6-16H2,1-5H3,(H,37,43)(H,38,52)(H,39,51)(H,40,48)(H,41,49)(H,42,50)(H,44,45)(H,46,47)(H,53,54)(H,55,56)/t18?,21?,22-,23-,24-,25-,28-,29+/m0/s1
PubChem CID	44305052
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50096400
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	890.0 nM	PMID25970039	BindingDB
EC50	891.0 nM	PMID25970039	BindingDB

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