BioLiP

PDB

BioLiP

PDB CCD ID:

AO6

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O3

InChI:

InChI=1S/C16H15NO3/c1-8(18)7-11-9(2)15(19)16(20)13-10-5-3-4-6-12(10)17-14(11)13/h3-6,8,17-18H,7H2,1-2H3/t8-/m1/s1

InChIKey:

HADDOKGXXGGODW-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H](O)CC1=C(C)C(=O)C(=O)c2c1[nH]c3ccccc23
CACTVS 3.385	C[CH](O)CC1=C(C)C(=O)C(=O)c2c1[nH]c3ccccc23
OpenEye OEToolkits 2.0.6	CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O
OpenEye OEToolkits 2.0.6	CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)CC(C)O

Name:

2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione

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).