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Ligand

NameRanatensin
Molecular formulaC61H84N16O13S
IUPAC nameN-[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[1-[3-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight1281.5
Hydrogen bond acceptor15
Hydrogen bond donor14
XlogP0.4
Synonyms29451-71-6
pyroGlu-Val-Pro-Gln-Trp-Ala-Val-Gly-His-Phe-Met-NH2
BDBM85499
GTPL618
CAS_29451-71-6
[ Show all ]
Inchi KeyAUOCWSNQHWTPIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C61H84N16O13S/c1-32(2)50(60(89)66-30-49(80)70-45(27-37-29-64-31-67-37)58(87)73-43(25-35-13-8-7-9-14-35)57(86)71-40(52(63)81)22-24-91-6)75-53(82)34(5)68-56(85)44(26-36-28-65-39-16-11-10-15-38(36)39)74-54(83)42(18-20-47(62)78)72-59(88)46-17-12-23-77(46)61(90)51(33(3)4)76-55(84)41-19-21-48(79)69-41/h7-11,13-16,28-29,31-34,40-46,50-51,65H,12,17-27,30H2,1-6H3,(H2,62,78)(H2,63,81)(H,64,67)(H,66,89)(H,68,85)(H,69,79)(H,70,80)(H,71,86)(H,72,88)(H,73,87)(H,74,83)(H,75,82)(H,76,84)
PubChem CID22146595
ChEMBLN/A
IUPHAR618
BindingDB85499
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14830Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
14833Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384
553325Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384
14831Neuromedin-B receptorP24053NmbrRattus norvegicus (Rat)390
553326Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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