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Ligand

NameCHEMBL2373065
Molecular formulaC88H131N27O27S
IUPAC name2-[2-[[2-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Molecular weight2031.24
Hydrogen bond acceptor33
Hydrogen bond donor26
XlogP-12.6
SynonymsN/A
Inchi KeyBPMVSUXWIMGXRV-PWABJMAXSA-N
Inchi IDInChI=1S/C88H131N27O27S/c1-46(2)31-59(83(138)104-55(76(92)131)23-30-143-6)108-84(139)62(34-51-37-95-45-100-51)102-69(121)39-99-87(142)75(47(3)4)111-77(132)48(5)101-82(137)61(33-50-36-97-54-12-8-7-11-53(50)54)110-81(136)57(19-21-65(89)117)106-85(140)63(35-67(91)119)103-68(120)38-98-78(133)60(32-49-15-17-52(116)18-16-49)109-79(134)56(13-9-24-96-88(93)94)105-80(135)58(20-22-66(90)118)107-86(141)64-14-10-25-115(64)70(122)40-113(42-72(125)126)28-26-112(41-71(123)124)27-29-114(43-73(127)128)44-74(129)130/h7-8,11-12,15-18,36-37,45-48,55-64,75,97,116H,9-10,13-14,19-35,38-44H2,1-6H3,(H2,89,117)(H2,90,118)(H2,91,119)(H2,92,131)(H,95,100)(H,98,133)(H,99,142)(H,101,137)(H,102,121)(H,103,120)(H,104,138)(H,105,135)(H,106,140)(H,107,141)(H,108,139)(H,109,134)(H,110,136)(H,111,132)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,93,94,96)/t48-,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,75-/m0/s1
PubChem CID73354829
ChEMBLCHEMBL2373065
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29697Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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