Ligand

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Ligand Name:   3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile
HET ID:   70M PubChem:   131801398
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N#Cc1ccc(cc1)N1CCN(CC1)CCCCc1c[nH]c2c1cc(C#N)c(c2)O
Standard InChI:   InChI=1S/C24H25N5O/c25-15-18-4-6-21(7-5-18)29-11-9-28(10-12-29)8-2-1-3-19-17-27-23-14-24(30)20(16-26)13-22(19)23/h4-7,13-14,17,27,30H,1-3,8-12H2
Molecular Formula:   C24H25N5O Mol. Weight:   399.4882 Heavy Atoms:   30
Charge:   0 Is Chiral:   False logP:   3.76466
HBD:   2 HBA:   5 TPSA:   90.08
#Bonds:   34 #Rotatable Bonds:   6 Shape Complexity:   0.36363637
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Heat shock protein HSP 90-alpha P07900 (HS90A_HUMAN) Homo sapiens 5LO5
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