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BioLiP

PDB CCD ID: IXX
Number of entries in BioLiP: 5
Chemical formula: C19 H24 N2
InChI: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
InChIKey: BCGWQEUPMDMJNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)CCCN1c2ccccc2CCc3c1cccc3
ACDLabs 10.04c1cc3c(cc1)CCc2c(cccc2)N3CCCN(C)C
CACTVS 3.341CN(C)CCCN1c2ccccc2CCc3ccccc13
Name:3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE;
5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine;
10,11-Dehydroimipramine;
Depramine
ChEMBL: CHEMBL11
DrugBank: DB00458
ZINC: ZINC000000020245
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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