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Ligand

NameCHEMBL2372168
Molecular formulaC50H72N18O11
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-azidophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight1101.24
Hydrogen bond acceptor16
Hydrogen bond donor12
XlogP-3.8
SynonymsN/A
Inchi KeyAWFNPGNZBKORSG-FDISYFBBSA-N
Inchi IDInChI=1S/C50H72N18O11/c51-32(11-4-20-57-49(52)53)45(75)68-24-8-15-39(68)47(77)67-23-6-13-37(67)43(73)59-27-40(70)60-34(25-29-9-2-1-3-10-29)41(71)63-36(28-69)46(76)66-22-7-14-38(66)44(74)62-35(26-30-16-18-31(19-17-30)64-65-56)42(72)61-33(48(78)79)12-5-21-58-50(54)55/h1-3,9-10,16-19,32-39,69H,4-8,11-15,20-28,51H2,(H,59,73)(H,60,70)(H,61,72)(H,62,74)(H,63,71)(H,78,79)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID73345647
ChEMBLCHEMBL2372168
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
15976B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
15975B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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