BioLiP

PDB

BioLiP

PDB CCD ID:

BD4

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C
CACTVS 3.341	Cc1ccc2n(CCCN)c3cc(C)c4C(=O)NC(=O)c4c3c2c1
ACDLabs 10.04	O=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, 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).