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Name | d(CH2)5[D-Ile2,Ile4]VP |
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Molecular formula | C49H77N13O10S2 |
IUPAC name | (2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2R,3R)-3-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[2-(2-sulfanylidenecyclohexyl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]butanediamide |
Molecular weight | 1072.36 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 12 |
XlogP | -0.3 |
Synonyms | d(CH2)5-Ile-ile-arg-avp Arginine vasopressin, (beta-mercapto)beta,beta-cyclopentamethylenepropionic acid(1)-ile(2,4)- D08JNK 1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2,4-ile-argipressin d(CH2)5-D-Ileu(2)-ileu(4)-avp [ Show all ] |
Inchi Key | CNWFVLCMGVAHSD-HAEBMLOOSA-N |
Inchi ID | InChI=1S/C49H77N13O10S2/c1-5-27(3)40(60-39(65)23-30-16-10-11-19-36(30)74)46(70)57-32(22-29-14-8-7-9-15-29)44(68)61-41(28(4)6-2)47(71)58-33(24-37(50)63)43(67)59-34(26-73)48(72)62-21-13-18-35(62)45(69)56-31(17-12-20-54-49(52)53)42(66)55-25-38(51)64/h7-9,14-15,27-28,30-35,40-41,73H,5-6,10-13,16-26H2,1-4H3,(H2,50,63)(H2,51,64)(H,55,66)(H,56,69)(H,57,70)(H,58,71)(H,59,67)(H,60,65)(H,61,68)(H4,52,53,54)/t27-,28+,30?,31-,32-,33-,34-,35-,40-,41+/m0/s1 |
PubChem CID | 3080966 |
ChEMBL | N/A |
IUPHAR | 2236 |
BindingDB | N/A |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
553459 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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