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Ligand

Named[Cha4]AVP
Molecular formulaC50H71N13O11S2
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-(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 weight1094.32
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP-0.1
SynonymsD09RIE
AKOS024457445
CHEMBL265858
BDBM50205312
Inchi KeyZKYCVZNKBXGNEK-ZTYVOHGWSA-N
Inchi IDInChI=1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID44419028
ChEMBLCHEMBL265858
IUPHARN/A
BindingDB50205312
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
431076Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
431078Oxytocin receptorP30559OXTRHomo sapiens (Human)389
431072Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
431074Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
431075Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
431077Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
431071Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371
431073Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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