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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	BOC-TRP-MET-ASP-PHE-NH2
Molecular formula	C34H44N6O8S
IUPAC name	(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular weight	696.82
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	2.3
Synonyms	(S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid Boc-CCK-4 CHEMBL64605 BDBM50002477 ZINC4534207 3-{1-[1-butyl oxycarbonylamino-2-(1H-3-indolyl)ethylcarboxamido]-3-methylsulfanylpropylcarboxamido}-3-(1-carbamoyl-2-phenylethylcarbamoyl)propanoic acid 5235-21-2 DDROKKYSSQPXQO-FWEHEUNISA-N (6S,9S,12S)-6-((1H-indol-3-yl)methyl)-12-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-2,2-dimethyl-9-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatetradecan-14-oic acid Boc tetragastrin 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid AKOS027382252 SCHEMBL11568613 [ Show all ]
Inchi Key	DDROKKYSSQPXQO-FWEHEUNISA-N
Inchi ID	InChI=1S/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26-,27-/m0/s1
PubChem CID	13178389
ChEMBL	CHEMBL64605
IUPHAR	N/A
BindingDB	50002477
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
57392	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
57393	Cholecystokinin receptor type A	Q63931	CCKAR	Cavia porcellus (Guinea pig)	430
57390	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
57391	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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