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Ligand

NamePreprogalanin-(1-30)
Molecular formulaC143H214N44O42
IUPAC name3-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[6-amino-1-[[1-[[2-[[1-[[1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
Molecular weight3221.55
Hydrogen bond acceptor48
Hydrogen bond donor47
XlogP-15.1
SynonymsBDBM85199
CAS_132699-74-2
Inchi KeyISAXHEUFXWSVOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C143H214N44O42/c1-15-72(10)115(141(228)180-101(52-114(203)204)133(220)176-98(49-106(146)194)130(217)174-97(48-82-57-153-67-162-82)129(216)169-87(30-23-37-154-143(149)150)123(210)181-103(63-189)137(224)172-93(43-77-25-17-16-18-26-77)128(215)183-104(64-190)138(225)177-100(51-113(201)202)132(219)168-86(29-21-22-36-144)122(209)173-95(46-80-55-151-65-160-80)121(208)158-60-111(199)166-89(40-69(4)5)134(221)185-116(75(13)191)140(227)156-58-108(148)196)184-119(206)74(12)164-124(211)96(47-81-56-152-66-161-81)178-139(226)105-31-24-38-187(105)112(200)61-159-120(207)88(39-68(2)3)170-125(212)90(41-70(6)7)171-127(214)92(44-78-32-34-83(193)35-33-78)167-110(198)59-157-118(205)73(11)163-136(223)102(62-188)182-131(218)99(50-107(147)195)175-126(213)91(42-71(8)9)179-142(229)117(76(14)192)186-135(222)94(165-109(197)53-145)45-79-54-155-85-28-20-19-27-84(79)85/h16-20,25-28,32-35,54-57,65-76,86-105,115-117,155,188-193H,15,21-24,29-31,36-53,58-64,144-145H2,1-14H3,(H2,146,194)(H2,147,195)(H2,148,196)(H,151,160)(H,152,161)(H,153,162)(H,156,227)(H,157,205)(H,158,208)(H,159,207)(H,163,223)(H,164,211)(H,165,197)(H,166,199)(H,167,198)(H,168,219)(H,169,216)(H,170,212)(H,171,214)(H,172,224)(H,173,209)(H,174,217)(H,175,213)(H,176,220)(H,177,225)(H,178,226)(H,179,229)(H,180,228)(H,181,210)(H,182,218)(H,183,215)(H,184,206)(H,185,221)(H,186,222)(H,201,202)(H,203,204)(H4,149,150,154)
PubChem CID91898930
ChEMBLN/A
IUPHARN/A
BindingDB85199
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
140545Galanin receptor type 3O88626Galr3Rattus norvegicus (Rat)370

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