Zhang Lab

University of Michigan

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 ●DMFold ●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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	gamma-Acetylenic gaba
Molecular formula	C6H9NO2
IUPAC name	4-aminohex-5-ynoic acid
Molecular weight	127.143
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-3.0
Synonyms	4-Aminohex-5-ynoic acid AKOS006272245 NCGC00015019-03 RMI-71645 57659-38-8 CCG-204233 HMS3260K18 NCGC00093628-02 SR-01000075598-1 AC1Q5VT0 D09IHN LS-75759 PDSP2_000141 4-Amino-5-hexynoic acid, solid 4-aminohexynoate BDBM81477 gamma-acetylenic-GABA NCGC00015019-04 SCHEMBL690785 CHEMBL330129 Lopac0_000138 NCGC00260823-01 Tox21_500138 4-ami-nohex-5-ynoic acid 4-Amino-hex-5-ynoic acid Acetylenic GABA-7 EU-0100138 NCGC00015019-02 RMI 71645 5-Hexynoic acid, 4-amino- CAS_57659-38-8 gamma-Acetylinic GABA NCGC00093628-01 SR-01000075598 AC1L1FYW CTK5A7233 LP00138 PDSP1_000142 4-Amino-5-hexynoic acid [ Show all ]
Inchi Key	BJNIHWSOVCDBHS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H9NO2/c1-2-5(7)3-4-6(8)9/h1,5H,3-4,7H2,(H,8,9)
PubChem CID	3452
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81477
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
555575	Gamma-aminobutyric acid type B receptor subunit 1	Q9Z0U4	Gabbr1	Rattus norvegicus (Rat)	991

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218