Ligand

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Ligand Name:   10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
HET ID:   TFP PubChem:   5566
DrugBank:   DB00831 ChEMBL:   CHEMBL422
Canonical SMILES:   CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
Standard InChI:   InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
Molecular Formula:   C21H24F3N3S Mol. Weight:   407.49557 Heavy Atoms:   28
Charge:   0 Is Chiral:   False logP:   4.8864
HBD:   0 HBA:   3 TPSA:   35.02
#Bonds:   31 #Rotatable Bonds:   5 Shape Complexity:   0.42857143
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Protein S100-A4 P26447 (S10A4_HUMAN) Homo sapiens 3KO0
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