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Ligand

NameVIP Ala17
Molecular formulaC145H234N44O42
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular weight3265.73
Hydrogen bond acceptor49
Hydrogen bond donor49
XlogP-15.6
SynonymsBDBM85924
Inchi KeyPNROLVJZVZJWTF-MFXHDXCUSA-N
Inchi IDInChI=1S/C145H234N44O42/c1-18-73(12)113(141(229)180-95(54-70(6)7)129(217)172-92(116(154)204)59-106(151)197)187-138(226)104(66-191)184-133(221)100(61-108(153)199)177-130(218)94(53-69(4)5)174-131(219)96(56-80-37-41-83(194)42-38-80)175-125(213)87(33-23-26-48-147)167-123(211)88(34-24-27-49-148)170-139(227)111(71(8)9)185-118(206)75(14)163-117(205)74(13)164-121(209)91(45-46-105(150)196)169-122(210)86(32-22-25-47-146)166-124(212)89(35-28-50-160-144(155)156)168-128(216)93(52-68(2)3)173-126(214)90(36-29-51-161-145(157)158)171-142(230)114(77(16)192)188-135(223)97(57-81-39-43-84(195)44-40-81)176-132(220)99(60-107(152)198)178-134(222)102(63-110(202)203)182-143(231)115(78(17)193)189-136(224)98(55-79-30-20-19-21-31-79)181-140(228)112(72(10)11)186-119(207)76(15)165-127(215)101(62-109(200)201)179-137(225)103(65-190)183-120(208)85(149)58-82-64-159-67-162-82/h19-21,30-31,37-44,64,67-78,85-104,111-115,190-195H,18,22-29,32-36,45-63,65-66,146-149H2,1-17H3,(H2,150,196)(H2,151,197)(H2,152,198)(H2,153,199)(H2,154,204)(H,159,162)(H,163,205)(H,164,209)(H,165,215)(H,166,212)(H,167,211)(H,168,216)(H,169,210)(H,170,227)(H,171,230)(H,172,217)(H,173,214)(H,174,219)(H,175,213)(H,176,220)(H,177,218)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,208)(H,184,221)(H,185,206)(H,186,207)(H,187,226)(H,188,223)(H,189,224)(H,200,201)(H,202,203)(H4,155,156,160)(H4,157,158,161)/t73-,74-,75-,76-,77+,78+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,111-,112-,113-,114?,115-/m0/s1
PubChem CID91899054
ChEMBLN/A
IUPHARN/A
BindingDB85924
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
264257Vasoactive intestinal polypeptide receptor 2P35000Vipr2Rattus norvegicus (Rat)437
264258Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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