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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	GR 94800
Molecular formula	C49H61N9O8
IUPAC name	(2S)-N-[(2S)-1-amino-1-oxohexan-2-yl]-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-benzamidopropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	904.082
Hydrogen bond acceptor	8
Hydrogen bond donor	7
XlogP	4.4
Synonyms	141636-65-9 DTXSID00161781 N-alpha-benzoyl-Ala-Ala-D-Trp-Phe-D-Pro-Pro-Nle-NH2 PhCO-Ala-Ala-D-Trp-Phe-D-Pro-Pro-Nle-NH2 AKOS024456735 GR-94800 LS-183827 N-alpha-Benzoylalanyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide SCHEMBL16353709 BDBM50048413 L-Norleucinamide, N-benzoyl-L-alanyl-L-alanyl-D-tryptophyl-L-phenylalanyl-D-prolyl-L-prolyl- (2S)-N-[(2S)-1-amino-1-oxohexan-2-yl]-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-benzamidopropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CHEMBL2370064 MFCD00214618 AC1NUPIC GR 94800, >96%, powder Nalpha-Benzoyl-ala-ala-D-trp-phe-D-pro-pro-nle-NH2 ZINC150340482 Bz-Ala-Ala-D-Trp-Phe-D-Pro-Pro-Nle-NH(2) L-Norleucinamide,N-benzoyl-L-alanyl-L-alanyl-D-tryptophyl-L-phenylalanyl-D-prolyl-L-prolyl- [ Show all ]
Inchi Key	CWEISCOCKRHHOU-UJYVDGJVSA-N
Inchi ID	InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38+,39-,40-,41+/m0/s1
PubChem CID	5487475
ChEMBL	CHEMBL2370064
IUPHAR	N/A
BindingDB	50048413
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

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
52026	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
52027	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
443775	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
52028	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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