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Ligand

NameCHEMBL3142173
Molecular formulaC38H54N10O6S
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(3S)-2-[(2S)-2-[5-(diaminomethylideneamino)pentanoylamino]-3-thiophen-2-ylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]pentanoic acid
Molecular weight778.974
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP1.0
SynonymsN/A
Inchi KeyUYKQLYDXQDCNTJ-CULZULGGSA-N
Inchi IDInChI=1S/C38H54N10O6S/c39-37(40)43-16-6-5-15-32(49)45-28(21-26-12-8-18-55-26)34(51)47-22-25-11-2-1-9-23(25)19-31(47)35(52)48-29-14-4-3-10-24(29)20-30(48)33(50)46-27(36(53)54)13-7-17-44-38(41)42/h1-2,8-9,11-12,18,24,27-31H,3-7,10,13-17,19-22H2,(H,45,49)(H,46,50)(H,53,54)(H4,39,40,43)(H4,41,42,44)/t24?,27-,28-,29?,30-,31-/m0/s1
PubChem CID90662795
ChEMBLCHEMBL3142173
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
348722B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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