SEQ2FUN

BioLiP

PDB CCD ID: BFZ
Number of entries in BioLiP: 20
Chemical formula: C21 H23 Br F N3 O
InChI: InChI=1S/C21H23BrFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKey: FRXOAXNCRZNTCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Br
CACTVS 3.370CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Br)ccc13
ACDLabs 12.01Fc3ccccc3C2=NCC(=O)N(c1c2cc(Br)cc1)CCN(CC)CC
Name:7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE;
BROMOFLURAZEPAM
ZINC: ZINC000095921235
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).