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BioLiP

PDB CCD ID: 08J
Number of entries in BioLiP: 7
Chemical formula: C18 H13 Cl F N3
InChI: InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
InChIKey: DDLIGBOFAVUZHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12
ACDLabs 12.01Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C
OpenEye OEToolkits 1.7.2Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl
Name:8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;
Midazolam
ChEMBL: CHEMBL655
DrugBank: DB00683
ZINC: ZINC000095626706
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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