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BioLiP

PDB CCD ID: BD4
Number of entries in BioLiP: 1
Chemical formula: C19 H19 N3 O2
InChI: InChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)
InChIKey: PKPNSCZPIWCHMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C
CACTVS 3.341Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1
ACDLabs 10.04O=C4c3c2c1cc(ccc1n(c2cc(c3C(=O)N4)C)CCCN)C
Name:6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
DrugBank: DB07444
ZINC: ZINC000034114913
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)(download the PDF file).
  • 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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