BioLiP

PDB

BioLiP

PDB CCD ID:

824

Number of entries in BioLiP:

Chemical formula:

C20 H12 N2 O3

InChI:

InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)

InChIKey:

IAUZTOZLTFSMIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C5c4c2c1cc(O)ccc1nc2cc(c3ccccc3)c4C(=O)N5
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O
CACTVS 3.341	Oc1ccc2[nH]c3cc(c4ccccc4)c5C(=O)NC(=O)c5c3c2c1

Name:

9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE;
9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE

ChEMBL:

CHEMBL214253

DrugBank:

DB04608

ZINC:

ZINC000006475935

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).