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Ligand

Named[Cha4,Lys8]VP
Molecular formulaC50H71N11O11S2
IUPAC name(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-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 weight1066.3
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP0.8
SynonymsCHEMBL221485
BDBM50205293
D05BHL
Inchi KeyRJWLIPGRNZUUNS-OAKHNGAUSA-N
Inchi IDInChI=1S/C50H71N11O11S2/c51-21-8-7-14-34(44(66)54-28-42(53)64)56-49(71)40-15-9-22-61(40)50(72)39-29-74-73-23-20-43(65)55-35(26-32-16-18-33(62)19-17-32)45(67)57-36(24-30-10-3-1-4-11-30)46(68)58-37(25-31-12-5-2-6-13-31)47(69)59-38(27-41(52)63)48(70)60-39/h1,3-4,10-11,16-19,31,34-40,62H,2,5-9,12-15,20-29,51H2,(H2,52,63)(H2,53,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,60,70)/t34-,35-,36-,37-,38-,39-,40-/m0/s1
PubChem CID16109437
ChEMBLCHEMBL221485
IUPHARN/A
BindingDB50205293
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
298010Oxytocin receptorP30559OXTRHomo sapiens (Human)389
298014Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
298011Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
298012Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
298013Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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