Ligand

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Ligand Name:   CRYSTAL VIOLET
HET ID:   CVI PubChem:   3468
DrugBank:   DB00406 ChEMBL:   CHEMBL459265
Canonical SMILES:   C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C
Standard InChI:   InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
Molecular Formula:   C25H30N3+ Mol. Weight:   372.5258 Heavy Atoms:   28
Charge:   1 Is Chiral:   False logP:   4.4596
HBD:   0 HBA:   2 TPSA:   9.49
#Bonds:   30 #Rotatable Bonds:   4 Shape Complexity:   0.24
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
EilR repressor E3G817 (E3G817_ENTLS) Enterobacter lignolyticus 5VLM
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