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Ligand

NameCHEMBL263985
Molecular formulaC59H68N14O10
IUPAC name(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1133.28
Hydrogen bond acceptor12
Hydrogen bond donor15
XlogP1.2
SynonymsBDBM50407432
Inchi KeyLDOMQLRRVXHPAY-LUCVQRGBSA-N
Inchi IDInChI=1S/C59H68N14O10/c1-31(2)51(73-56(80)49(25-35-30-67-44-19-10-6-15-39(35)44)71-54(78)46(69-52(76)40(60)26-50(74)75)22-32-27-64-41-16-7-3-12-36(32)41)57(81)72-48(24-34-29-66-43-18-9-5-14-38(34)43)55(79)70-47(23-33-28-65-42-17-8-4-13-37(33)42)53(77)68-45(58(82)83)20-11-21-63-59(61)62/h3-10,12-19,27-31,40,45-49,51,64-67H,11,20-26,60H2,1-2H3,(H,68,77)(H,69,76)(H,70,79)(H,71,78)(H,72,81)(H,73,80)(H,74,75)(H,82,83)(H4,61,62,63)/t40-,45-,46+,47+,48+,49+,51-/m0/s1
PubChem CID44324422
ChEMBLCHEMBL263985
IUPHARN/A
BindingDB50407432
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
184789Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
184790Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
184791Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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