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Drug Details

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Name:1,3-Diazepine deriv.
PubChem ID:441046
Pathway:-
InChI:InChI=1/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1/f/h44-45H
SMILES:c1ccc(cc1)C[C@H]1[C@@H]([C@@H]([C@H](Cc2ccccc2)N(Cc2cccc(c2)C(Nc2nccs2)=O)C(N1Cc1cccc(c1)C(Nc1nccs1)=O)=O)O)O

Properties:
Formula:C41H38N6O5S2Atoms:58
Molecular Weight:758.908Rotatable Bonds:14
H-bond Acceptors:9H-bond Donors:0
logP:6.5082
Targets:
NameUniprot IDSourceReferencesInteraction
Gag-Pol polyproteinPOL_HV1H2DrugBank-shows
Synonyms:
(4R-(4alpha,5alpha,6beta,7beta))-3,3'-((Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)-bis(methylene))bis(N-2-thiazolylbenzamide)
1,3-Diazepine deriv.
183854-11-7
1bv7
1bv9
1bwa
1qbr
AIDS-043317
AIDS043317
C06488
XV6
XV638
[4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]-bis(methylene)]bis[N-2-thiazolylbenzamide]
[4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7
[4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolylbenzamide]