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Ligand

NameCHEMBL2372164
Molecular formulaC50H72N17O11+
IUPAC name4-[(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-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-oxopropyl]benzenediazonium
Molecular weight1087.23
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP-4.1
SynonymsN/A
Inchi KeyBPDHQKYOEBXDEC-FDISYFBBSA-O
Inchi IDInChI=1S/C50H71N17O11/c51-32(11-4-20-57-49(52)53)45(74)67-24-8-15-39(67)47(76)66-23-6-13-37(66)43(72)59-27-40(69)60-34(25-29-9-2-1-3-10-29)41(70)63-36(28-68)46(75)65-22-7-14-38(65)44(73)62-35(26-30-16-18-31(64-56)19-17-30)42(71)61-33(48(77)78)12-5-21-58-50(54)55/h1-3,9-10,16-19,32-39,68H,4-8,11-15,20-28,51H2,(H13-,52,53,54,55,57,58,59,60,61,62,63,69,70,71,72,73,77,78)/p+1/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID73356276
ChEMBLCHEMBL2372164
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
29429B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
29428B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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