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:

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	CP-99994
Molecular formula	C19H24N2O
IUPAC name	(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
Molecular weight	296.414
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.9
Synonyms	Tritiated-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S,3S)-3-(2-methoxybenzyl)amino-2-phenylpiperdine CP 99994 D05ETM (2-Methoxy-benzyl)-((1R,4S)-2-phenyl-piperidin-4-yl)-amine (2S,3S)-N-(2-methoxybenzyl)-2-phenylpiperidin-3-amine AKOS027453648 NCGC00370844-01 (+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S, 3S)-3-(2-methoxybenzylamino)-2-phenylpiperidine 136982-36-0 CHEMBL441225 UNII-5KM4QA7RZC (-) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2s,3s)-3-(2-methoxybenzyl)amino-2-phenylpiperidine 5KM4QA7RZC DTQNEFOKTXXQKV-HKUYNNGSSA-N (2-Methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine BDBM50000041 SCHEMBL1282327 (+)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S,3S)-3-(2-Methoxy-benzyloxy)-2-phenyl-piperidine Cis-3-(2-methoxybenzylamino)-2-phenylpiperidine CP99994 ZINC22441784 (-)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2s,3s)-cis-3-(2-methoxybenzylamino)-2-phenylpiperidine AC1NSJX2 GTPL2102 (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine [ Show all ]
Inchi Key	DTQNEFOKTXXQKV-HKUYNNGSSA-N
Inchi ID	InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
PubChem CID	5311057
ChEMBL	CHEMBL441225
IUPHAR	2102
BindingDB	50000041
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
68568	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
459845	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
68567	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
68569	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
68565	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
68566	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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