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BDBM85979 [ala3,leu13]pMOT(1-14)

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O

InChI Key: InChIKey=PXSWDZUSRCFZGL-QHSPWHAGSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 85979   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Motilin


(Homo sapiens (Human))
BDBM85979
PNG
([ala3,leu13]pMOT(1-14))
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C79H120N20O20/c1-10-44(8)65(97-62(105)40-88-76(117)64(43(6)7)98-68(109)50(80)36-46-18-13-11-14-19-46)77(118)96-58(37-47-20-15-12-16-21-47)75(116)99-66(45(9)100)78(119)95-57(38-48-23-25-49(101)26-24-48)69(110)87-39-61(104)89-53(29-32-63(106)107)71(112)94-56(35-42(4)5)74(115)92-54(28-31-60(82)103)72(113)91-52(22-17-33-86-79(84)85)70(111)93-55(34-41(2)3)73(114)90-51(67(83)108)27-30-59(81)102/h11-16,18-21,23-26,41-45,50-58,64-66,100-101H,10,17,22,27-40,80H2,1-9H3,(H2,81,102)(H2,82,103)(H2,83,108)(H,87,110)(H,88,117)(H,89,104)(H,90,114)(H,91,113)(H,92,115)(H,93,111)(H,94,112)(H,95,119)(H,96,118)(H,97,105)(H,98,109)(H,99,116)(H,106,107)(H4,84,85,86)/t44-,45+,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,65-,66-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.32n/an/an/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by PDSP Ki Database




Biochem Biophys Res Commun 293: 1223-7 (2002)


Article DOI: 10.1016/S0006-291X(02)00356-X
BindingDB Entry DOI: 10.7270/Q2KP80RP
More data for this
Ligand-Target Pair