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Ligand

NameCHEMBL2370903
Molecular formulaC45H71N13O11
IUPAC name(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Molecular weight970.143
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP-2.4
SynonymsN/A
Inchi KeyFTQZNMJFBNHZJO-JTYWTGPQSA-N
Inchi IDInChI=1S/C45H71N13O11/c1-8-25(4)36(44(67)68)56-40(63)33-12-10-18-58(33)43(66)32(20-28-21-49-23-51-28)54-42(65)37(26(5)69-7)57-39(62)31(19-27-13-15-29(59)16-14-27)53-41(64)35(24(2)3)55-38(61)30(52-34(60)22-48-6)11-9-17-50-45(46)47/h13-16,21,23-26,30-33,35-37,48,59H,8-12,17-20,22H2,1-7H3,(H,49,51)(H,52,60)(H,53,64)(H,54,65)(H,55,61)(H,56,63)(H,57,62)(H,67,68)(H4,46,47,50)/t25-,26+,30-,31-,32-,33-,35-,36-,37-/m0/s1
PubChem CID73348539
ChEMBLCHEMBL2370903
IUPHARN/A
BindingDBN/A
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
86977Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363
445175Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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