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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	CHEMBL556537
Molecular formula	C70H89F6N11O15
IUPAC name	(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular weight	1438.53
Hydrogen bond acceptor	22
Hydrogen bond donor	14
XlogP	5.8
Synonyms	BDBM50295067
Inchi Key	ACFPRWCERXMNGY-SVJKDRGJSA-N
Inchi ID	InChI=1S/C70H89F6N11O15/c1-6-8-18-49(83-64(97)51(30-39-15-10-9-11-16-39)82-56(89)35-80-60(93)38(5)81-61(94)47(77)29-40-21-23-45(88)24-22-40)67(100)87-25-14-20-54(87)66(99)85-50(26-37(3)4)63(96)86-53(36-101-68-59(92)58(91)57(90)55(7-2)102-68)65(98)84-52(31-42-34-78-48-19-13-12-17-46(42)48)62(95)79-33-41-27-43(69(71,72)73)32-44(28-41)70(74,75)76/h9-13,15-17,19,21-24,27-28,32,34,37-38,47,49-55,57-59,68,78,88,90-92H,6-8,14,18,20,25-26,29-31,33,35-36,77H2,1-5H3,(H,79,95)(H,80,93)(H,81,94)(H,82,89)(H,83,97)(H,84,98)(H,85,99)(H,86,96)/t38-,47+,49+,50+,51+,52+,53+,54+,55-,57-,58+,59-,68-/m1/s1
PubChem CID	45271306
ChEMBL	CHEMBL556537
IUPHAR	N/A
BindingDB	50295067
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
1513	Delta-type opioid receptor	P32300	Oprd1	Mus musculus (Mouse)	372
1514	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
1511	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
1517	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
1512	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
1515	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407
1516	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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