Ligand |
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Ligand Name: Ru(bpy)2(A-Phen)(K97C) | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1290 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: [Ru++].C1=CN=C(C=C1)C1=CC=CC=N1.C1=CN=C(C=C1)C1=NC=CC=C1.ICC(=O)Nc1cc2C=CC=Nc2c2N=CC=Cc12 | ||
Standard InChI: InChI=1S/C14H10IN3O.2C10H8N2.Ru/c15-8-12(19)18-11-7-9-3-1-5-16-13(9)14-10(11)4-2-6-17-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-7H,8H2,(H,18,19);2*1-8H; | ||
Molecular Formula: C34H26IN7ORu | Mol. Weight: 776.6 | logP: 2.47 |
HBD: 1 | HBA: 7 | |
#Rotatable Bonds: 2 | TPSA: 106.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Bifunctional cytochrome P450/NADPH--P450 reductase | P14779 (CPXB_BACMB) | Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512) | 3NPL | RU8 |
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- |
SHOW |
Bifunctional cytochrome P450/NADPH--P450 reductase | P14779 (CPXB_BACMB) | Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512) | 5JQ2 | RU8 |
- |
- |
SHOW |
Bifunctional cytochrome P450/NADPH--P450 reductase | P14779 (CPXB_BACMB) | Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512) | 5JTD | RU8 |
- |
- |
SHOW |