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Ligand

Named[Arg4]AVP
Molecular formulaC47H68N16O11S2
IUPAC name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular weight1097.28
Hydrogen bond acceptor15
Hydrogen bond donor14
XlogP-4.1
SynonymsCHEMBL375324
BDBM50205305
D0R7QC
Inchi KeyNZPQDNABVFGPNI-POFDKVPJSA-N
Inchi IDInChI=1S/C47H68N16O11S2/c48-36(65)23-33-43(72)62-34(45(74)63-19-6-11-35(63)44(73)59-29(9-4-17-54-46(50)51)39(68)56-24-37(49)66)25-76-75-20-16-38(67)57-31(22-27-12-14-28(64)15-13-27)41(70)60-32(21-26-7-2-1-3-8-26)42(71)58-30(40(69)61-33)10-5-18-55-47(52)53/h1-3,7-8,12-15,29-35,64H,4-6,9-11,16-25H2,(H2,48,65)(H2,49,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,50,51,54)(H4,52,53,55)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
PubChem CID44419039
ChEMBLCHEMBL375324
IUPHARN/A
BindingDB50205305
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
235942Oxytocin receptorP30559OXTRHomo sapiens (Human)389
235947Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
235945Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
235949Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
235943Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
235946Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
235944Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371
235948Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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