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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	Manning compound
Molecular formula	C52H74N14O12S2
IUPAC name	N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-benzyl-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Molecular weight	1151.37
Hydrogen bond acceptor	15
Hydrogen bond donor	12
XlogP	-2.1
Synonyms	SCHEMBL18163730 (d(CH2)51,Tyr(Me)2,Arg8)-Vasopressin BDBM85096 [1-Mercaptocyclohexyl]acetyl-Tyr[O-Methyl]-Phe-Gln-Asn-Cys-Pro-Arg-Gly-NH2 73168-24-8 CAS_105077 NSC_105077 [beta-Mercapto-beta,beta-cyclopenta-methylenepropionyl1,O-Me-Tyr2,Arg8]-VASOPRESSIN d(CH2)5Tyr(Me)AVP [ Show all ]
Inchi Key	QVQOGNOOAMQKCE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)
PubChem CID	13127203
ChEMBL	N/A
IUPHAR	N/A
BindingDB	85096
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
556595	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
287930	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
287929	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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