Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

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.
Go back to previous page.

GPCR

Name	Metabotropic glutamate receptor 1
Species	Homo sapiens (Human)
Gene	GRM1
Synonym	SCAR13 MGLUR1 mGlu1 receptor metabotropic glutamate receptor 1 GPRC1A glutamate receptor, metabotropic 1 glutamate receptor wobl [ Show all ]
Disease	Alzheimer disease; Huntington's disease Neurological disease Neuropathic pain Schizophrenia Pain
Length	1194
Amino acid sequence	MVGLLLFFFPAIFLEVSLLPRSPGRKVLLAGASSQRSVARMDGDVIIGALFSVHHQPPAEKVPERKCGEIREQYGIQRVEAMFHTLDKINADPVLLPNITLGSEIRDSCWHSSVALEQSIEFIRDSLISIRDEKDGINRCLPDGQSLPPGRTKKPIAGVIGPGSSSVAIQVQNLLQLFDIPQIAYSATSIDLSDKTLYKYFLRVVPSDTLQARAMLDIVKRYNWTYVSAVHTEGNYGESGMDAFKELAAQEGLCIAHSDKIYSNAGEKSFDRLLRKLRERLPKARVVVCFCEGMTVRGLLSAMRRLGVVGEFSLIGSDGWADRDEVIEGYEVEANGGITIKLQSPEVRSFDDYFLKLRLDTNTRNPWFPEFWQHRFQCRLPGHLLENPNFKRICTGNESLEENYVQDSKMGFVINAIYAMAHGLQNMHHALCPGHVGLCDAMKPIDGSKLLDFLIKSSFIGVSGEEVWFDEKGDAPGRYDIMNLQYTEANRYDYVHVGTWHEGVLNIDDYKIQMNKSGVVRSVCSEPCLKGQIKVIRKGEVSCCWICTACKENEYVQDEFTCKACDLGWWPNADLTGCEPIPVRYLEWSNIESIIAIAFSCLGILVTLFVTLIFVLYRDTPVVKSSSRELCYIILAGIFLGYVCPFTLIAKPTTTSCYLQRLLVGLSSAMCYSALVTKTNRIARILAGSKKKICTRKPRFMSAWAQVIIASILISVQLTLVVTLIIMEPPMPILSYPSIKEVYLICNTSNLGVVAPLGYNGLLIMSCTYYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITTCFAVSLSVTVALGCMFTPKMYIIIAKPERNVRSAFTTSDVVRMHVGDGKLPCRSNTFLNIFRRKKAGAGNANSNGKSVSWSEPGGGQVPKGQHMWHRLSVHVKTNETACNQTAVIKPLTKSYQGSGKSLTFSDTSTKTLYNVEEEEDAQPIRFSPPGSPSMVVHRRVPSAATTPPLPSHLTAEETPLFLAEPALPKGLPPPLQQQQQPPPQQKSLMDQLQGVVSNFSTAIPDFHAVLAGPGGPGNGLRSLYPPPPPPQHLQMLPLQLSTFGEELVSPPADDDDDSERFKLLQEYVYEHEREGNTEEDELEEEEEDLQAASKLTPDDSPALTPPSPFRDSVASGSSVPSSPVSESVLCTPPNVSYASVILRDYKQSSSTL
UniProt	Q13255
Protein Data Bank	4or2, 3ks9
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4or2.
BioLiP	BL0271871,BL0271876, BL0271872,BL0271873,BL0271874,, BL0174211,BL0174213, BL0174210,BL0174212
Therapeutic Target Database	T27137
ChEMBL	CHEMBL3772
IUPHAR	289
DrugBank	BE0000824

Ligand

Name	(1S,3R)-ACPD
Molecular formula	C7H11NO4
IUPAC name	(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid
Molecular weight	173.168
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	-3.2
Synonyms	149881-50-5 ACPD CB 1712 D04DKM HMS3260C16 MLS002153209 SCHEMBL179741 (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid Tox21_500097 1,3-Cyclopentanedicarboxylic acid, 1-amino-, (1S-cis)- trans-(y)-ACPD 1-amino-1,3-dicarboxycyclopentane, cis-(1S,3S)-isomer 1-Aminocyclopentane-1S,3R-dicarboxylic acid B6220 CHEMBL34453 FT-0639513 J-500447 NCGC00024488-04 SR-01000075420-1 trans-( inverted question mark)-ACPD 1-Amino-1,3-dicarboxycyclopentane YFYNOWXBIBKGHB-FBCQKBJTSA- 130942-93-7 AC1L2XGH BN0051 cis-ACPD FT-0695378 LP00097 PDSP1_000813 SR-01000597678-2 (trans)-1-aminocyclopentyl-1,3-dicarboxylate trans-(1S,3R)-ACPD 1-amino-1,3-dicarboxycyclopentane, (trans)-isomer 1S,3R-ACPD ACPD-1S,3R CCG-204192 EU-0100097 I04-8357 MolPort-003-940-060 SMR001230688 (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;hydrate trans-( )-ACPD monohydrate 1,3-Cyclopentanedicarboxylicacid, 1-amino-, (1S,3R)- trans-1-aminocyclopentane-1,3-dicarboxylate 1-amino-1,3-dicarboxycyclopentane, trans-(1R,3S)-isomer 1-aminocyclopentyl-1,3-dicarboxylic acid 67684-64-4 B6245 cid_16218853 FT-0639514 J-500459 NCGC00024488-05 SR-01000597678 (1S,3S)-1-amino-1,3-cyclopentanedicarboxylic acid trans-(+/-)-ACPD 1-amino-1,3-dicarboxycyclopentane, (cis)-(+-)-isomer ZINC2004213 AC1Q5QYM C5b CTK0H3900 GTPL1365 LS-57947 PDSP2_000800 (1S,3R)-1-ACPD t-ACPD 1,3-Cyclopentanedicarboxylic acid, 1-amino-, (1S,3R)- trans-(?)-ACPD 1-amino-1,3-dicarboxycyclopentane, cis-(1R,3R)-isomer 27-84-9 AKOS017344535 FCH839908 InChI=1/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1 NCGC00024488-03 SR-01000075420 (1S,3R)-1-azanylcyclopentane-1,3-dicarboxylic acid;hydrate trans-( inverted question mark)-1-Amino-1,3-cyclopentanedicarboxylic acid 1-Amino-1,3-cyclopentanedicarboxylic acid trans-ACPD 1-amino-cyclopentyl-trans-1S,3R-dicarboxylate 111900-32-4 A-155 BDBM66976 cis-1-amino-1,3-cyclopentanecarboxylic acid FT-0695375 Lopac0_000097 NCGC00260782-01 SR-01000597678-1 (1S,3S)-ACPD trans-(1S,3R)-1-Amino-1,3-cyclopentanedicarboxylic acid 1-amino-1,3-dicarboxycyclopentane, (trans)-(+-)-isomer [ Show all ]
Inchi Key	YFYNOWXBIBKGHB-FBCQKBJTSA-N
Inchi ID	InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
PubChem CID	104766
ChEMBL	CHEMBL34453
IUPHAR	1365
BindingDB	66976
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	42000.0 nM	PMID12166935	ChEMBL
EC50	9300.0 nM	PMID9301676	BindingDB,ChEMBL
EC50	15000.0 nM	PMID9572889	BindingDB,ChEMBL
EC50	22000.0 nM	PMID8831765	BindingDB,ChEMBL
Ki	42000.0 nM	PMID10893301	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417