DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
ATP-dependent translocase ABCB1
Ligand Name
(4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MMEXOHZELNPTHF-MMPTUQATSA-N
SMILES
CC1c2nc(cs2)C(=O)NC(c3nc(cs3)C(=O)NC(c4nc(cs4)C(=O)N1)CSSc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7ZK6
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Color Legend
Unassigned regionsLigand / hetero atomse7zk6A1e7zk6A2e7zk6A3e7zk6A4
ECOD domains from experimental PDB structures interacting with ligand JJI
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P21447n/aJJI7zk6e7zk6A1A:34-372
P21447n/aJJI7zk6e7zk6A2A:688-1015
P21447n/aJJI7zkbe7zkbA1A:32-372
P21447n/aJJI7zkbe7zkbA4A:689-1015