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	D(3) dopamine receptor
Species	Rattus norvegicus (Rat)
Gene	Drd3
Synonym	D3 receptor D3R Dopamine D3 receptor dopaminergic receptor D3
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MAPLSQISTHLNSTCGAENSTGVNRARPHAYYALSYCALILAIIFGNGLVCAAVLRERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPSICSISNPDFVIYSSVVSFYVPFGVTVLVYARIYIVLRQRQRKRILTRQNSQCISIRPGFPQQSSCLRLHPIRQFSIRARFLSDATGQMEHIEDKQYPQKCQDPLLSHLQPPSPGQTHGGLKRYYSICQDTALRHPSLEGGAGMSPVERTRNSLSPTMAPKLSLEVRKLSNGRLSTSLRLGPLQPRGVPLREKKATQMVVIVLGAFIVCWLPFFLTHVLNTHCQACHVSPELYRATTWLGYVNSALNPVIYTTFNVEFRKAFLKILSC
UniProt	P19020
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	CHEMBL3138
IUPHAR	216
DrugBank	N/A

Ligand

Name	tranylcypromine
Molecular formula	C9H11N
IUPAC name	(1R,2S)-2-phenylcyclopropan-1-amine
Molecular weight	133.194
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	1.5
Synonyms	cid_2723716 Cyclopropanamine, 2-phenyl-, trans-(.+/-.)- EN300-197006 Lopac-P-8511 PDSP2_001079 (.+/-.)-trans-2-Phenylcyclopropamine SCHEMBL34339 (1R,2S)-rel-2-phenylcyclopropan-1-amine trans-2-phenylcyclopropanamine 2-Phenyl-1-aminocyclopropane, trans- [trans-2-phenylcyclopropyl]amine AC1L2E8J BRN 2802413 Cyclopropanamine, 2-phenyl-, (1R,2S)-rel- Cyclopropylamine, 2-phenyl-, trans-(-)- FCH837207 NCGC00015848-01 Prestwick1_000173 (1R)-1-Amino-2-phenylcyclopropane trans amine (1R,2S)-tranylcypromine Transamine 4694AJ AJ-26319 CCRIS 3344 Cyclopropanamine, 2-phenyl-, trans- DTXSID2023694 Jatrosom Parnate (+/-)-trans-2-phenylcyclopropylamine rel-Tranylcypromine (1R,2S)-2-phenylcyclopropan-1-amine trans-2-phenyl-cyclopropylamine (tranylcypromine)2-Phenyl-cyclopropylamine ZINC1482197 95-62-5 BDBM50240772 CS-0008259 Cyclopropylamine, 2-phenyl-, (1S-trans)- FCH3609496 LS-58822 PDSP2_001080 (.+/-.)-trans-2-Phenylcyclopropylamine SKF-trans-385 (1r,2s)-rel-2-phenylcyclopropanamine trans-2-Phenylcyclopropylamine 3-12-00-02797 (Beilstein Handbook Reference) AC1Q1HO4 BRN 3195803 CHEBI:131510 Cyclopropanamine, 2-phenyl-, (1R-trans)- Cyclopropylamine, 2-phenyl-, trans-(.+/-.)- GJZ NE64561 (+)-(R)-Tranylcypromine Prestwick2_000173 (1R,2S)-(-)-2-phenylcyclopropylamine trans-(-)-2-Phenylcyclopropanamine (1R-trans)-2-phenyl-cyclopropanamine AK173621 CHEMBL1179 Cyclopropanamine, 2-phenyl-, trans-(+-)- EINECS 205-841-9 l-Tranylcypromine Parnate (Salt/Mix) (-)-Tranylcypromine S-Tranylcypromine (1R,2S)-2-phenylcyclopropanamine trans-2-phenylcyclopropan-1-amine 155-09-9 [(trans)-2-phenylcyclopropyl]amine AC-15970 BRD-K47029922-003-03-4 CTK3G8797 Cyclopropylamine, 2-phenyl-, trans-(+-)- FCH4526577 LS-58823 Prestwick0_000173 (.+/-.)-Tranylcypromine SPBio_001986 (1R,2S)-trans-tranylcypromine trans-amine 3721-26-4 AELCINSCMGFISI-DTWKUNHWSA-N CBChromo1_000132 CHEBI:94631 Cyclopropanamine, 2-phenyl-, (1R-trans)- (9CI) d-Tranylcypromine HSDB 3404 NSC 80664 (+)-Tranylcypromine rac-trans-Tranylcypromine (1R,2S)-2-phenyl-cyclopropylamine trans-2-phenyl cyclopropylamine (Trans)-2-phenylcyclopropanamine UNII-3E3V44J4Z9 component AELCINSCMGFISI-DTWKUNHWSA-N 8372AH AKOS006282586 [ Show all ]
Inchi Key	AELCINSCMGFISI-DTWKUNHWSA-N
Inchi ID	InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
PubChem CID	19493
ChEMBL	CHEMBL1179
IUPHAR	N/A
BindingDB	50240772
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	12793.0 nM	PMID24848155	BindingDB,ChEMBL

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