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Ligand

Namebromocriptine
Molecular formulaC32H40BrN5O5
IUPAC name(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight654.606
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.8
SynonymsBromocriptina
Bromocriptine+ (GTP-)
C32H40BrN5O5
(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman
CHEMBL493
[ Show all ]
Inchi KeyOZVBMTJYIDMWIL-AYFBDAFISA-N
Inchi IDInChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
PubChem CID31101
ChEMBLCHEMBL493
IUPHAR35
BindingDB81993
DrugBankDB01200

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 38
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2543125-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2543285-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2543135-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2543195-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
2543095-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2543175-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5427305-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2543085-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2543305-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4614165-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
2543215-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2543385-hydroxytryptamine receptor 6Q9R1C8Htr6Mus musculus (Mouse)440
5545275-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
2543345-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
2543355-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
5186955-hydroxytryptamine receptor 7P32304Htr7Mus musculus (Mouse)448
254337Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
451707Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
254311Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
254325Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520

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