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Ligand

NameCHEMBL263743
Molecular formulaC51H64N12O11
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1021.15
Hydrogen bond acceptor13
Hydrogen bond donor13
XlogP-0.7
SynonymsDYPVWWR
BDBM50407447
Inchi KeyLCDWSUSRECLAGB-GYABJUTGSA-N
Inchi IDInChI=1S/C51H64N12O11/c1-27(2)43(62-47(70)41-14-8-20-63(41)49(72)40(21-28-15-17-31(64)18-16-28)61-44(67)34(52)24-42(65)66)48(71)60-39(23-30-26-57-36-12-6-4-10-33(30)36)46(69)59-38(22-29-25-56-35-11-5-3-9-32(29)35)45(68)58-37(50(73)74)13-7-19-55-51(53)54/h3-6,9-12,15-18,25-27,34,37-41,43,56-57,64H,7-8,13-14,19-24,52H2,1-2H3,(H,58,68)(H,59,69)(H,60,71)(H,61,67)(H,62,70)(H,65,66)(H,73,74)(H4,53,54,55)/t34-,37-,38-,39-,40-,41-,43-/m0/s1
PubChem CID44324631
ChEMBLCHEMBL263743
IUPHARN/A
BindingDB50407447
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
183845Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
183846Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
183847Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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