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Ligand

NameL-Serine,N-[1-oxo-3-(2-pentylphenyl)propyl]-L-threonyl-(aE)-a,b-didehydro-N-methyltyrosyl-L-leucyl-D-phenylalanyl-L-allothreonyl-L-asparaginyl-,(7®1)-lactone
Molecular formulaC54H72N8O13
IUPAC nameN-[6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanamide
Molecular weight1041.21
Hydrogen bond acceptor13
Hydrogen bond donor10
XlogP4.9
SynonymsCTK4B4806
ACMC-20mrod
125787-94-2
Inchi KeyBEWCDVTWUFJSSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)
PubChem CID115228
ChEMBLN/A
IUPHARN/A
BindingDB84954
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21972Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
21973Substance-K receptorP05363TACR2Bos taurus (Bovine)384
21974Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
21976Substance-K receptorP21452TACR2Homo sapiens (Human)398
21970Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
21971Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407
21975Substance-P receptorP25103TACR1Homo sapiens (Human)407

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