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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	CHEMBL2369831
Molecular formula	C45H63N13O12S2
IUPAC name	(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	1042.2
Hydrogen bond acceptor	15
Hydrogen bond donor	13
XlogP	-2.9
Synonyms	Vasopressin, 1-(3-mercaptopropanoic acid)-4-L-threonine-8-D-arginine- Deamino(4-threonine,8-D-arginine)vasopressin Vasopressin, deamino(4-thr-8-arg)- Deamino(4-threonine-8-arginine)vasopressin 58928-37-3 Vasopressin, deamino(4-threonine-8-arginine)- Deamino(4-thr-8-arg)vasopressin [ Show all ]
Inchi Key	CLIPIZUAVXBONL-CWRNHFHWSA-N
Inchi ID	InChI=1S/C45H63N13O12S2/c1-24(59)37-43(69)55-31(21-34(46)61)40(66)56-32(44(70)58-17-6-10-33(58)42(68)53-28(9-5-16-50-45(48)49)38(64)51-22-35(47)62)23-72-71-18-15-36(63)52-29(20-26-11-13-27(60)14-12-26)39(65)54-30(41(67)57-37)19-25-7-3-2-4-8-25/h2-4,7-8,11-14,24,28-33,37,59-60H,5-6,9-10,15-23H2,1H3,(H2,46,61)(H2,47,62)(H,51,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,67)(H4,48,49,50)/t24-,28+,29+,30+,31+,32+,33+,37+/m1/s1
PubChem CID	73348432
ChEMBL	CHEMBL2369831
IUPHAR	N/A
BindingDB	N/A
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.

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
44754	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
44756	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
44755	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
44757	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
44758	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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