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Name | Vasopressin V1a receptor |
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Species | Rattus norvegicus (Rat) |
Gene | Avpr1a |
Synonym | AVPR AVPR V1a AVPR1 antidiuretic hormone receptor 1a V1A receptor [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 424 |
Amino acid sequence | MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST |
UniProt | P30560 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2868 |
IUPHAR | 366 |
DrugBank | N/A |
Name | CHEMBL2115364 |
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Molecular formula | C55H74N14O11S2 |
IUPAC name | (2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-16-[(4-azidophenyl)methyl]-13-benzyl-19,19-dimethyl-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide |
Molecular weight | 1171.4 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 11 |
XlogP | 2.9 |
Synonyms | BDBM50406622 |
Inchi Key | WXRKRODRLZRAGZ-HSLJZQCHSA-N |
Inchi ID | InChI=1S/C55H74N14O11S2/c1-31(2)45-52(78)63-41(28-44(57)71)49(75)64-42(53(79)69-24-10-14-43(69)51(77)60-37(13-8-9-23-56)47(73)61-38(46(58)72)25-34-17-21-36(70)22-18-34)29-81-82-30-55(3,4)54(80)65-40(27-33-15-19-35(20-16-33)67-68-59)48(74)62-39(50(76)66-45)26-32-11-6-5-7-12-32/h5-7,11-12,15-22,31,37-43,45,70H,8-10,13-14,23-30,56H2,1-4H3,(H2,57,71)(H2,58,72)(H,60,77)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,80)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,45-/m0/s1 |
PubChem CID | 71458135 |
ChEMBL | CHEMBL2115364 |
IUPHAR | N/A |
BindingDB | 50406622 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | 0.4786 nM | PMID1732523 | ChEMBL |
Kd | 0.479 nM | PMID1732523 | BindingDB |
Kd | 0.48 nM | PMID1732523 | ChEMBL |
Kd | 0.48 nM | PMID1732523 | BindingDB |
Kd | 0.6 nM | PMID1732523 | BindingDB |
Kd | 0.6 nM | PMID1732523 | ChEMBL |
Kd | 0.6026 nM | PMID1732523 | ChEMBL |
Kd | 0.603 nM | PMID1732523 | BindingDB |
Ki | 1.9 nM | PMID1732523 | BindingDB,ChEMBL |
RA | 107.0 % | PMID1732523 | ChEMBL |
RA | 133.0 % | PMID1732523 | ChEMBL |
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