BioLiP

PDB

BioLiP

PDB CCD ID:

H8C

Number of entries in BioLiP:

Chemical formula:

C24 H20 N2 O2

InChI:

InChI=1S/C24H20N2O2/c1-14-22(16(3)28-25-14)19-12-13-21-23-18(19)10-7-11-20(23)24(27)26(21)15(2)17-8-5-4-6-9-17/h4-13,15H,1-3H3/t15-/m1/s1

InChIKey:

ZZRITBGIUCLKNF-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3C(C)c5ccccc5
CACTVS 3.385	C[CH](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5ccccc5
OpenEye OEToolkits 2.0.7	Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3[C@H](C)c5ccccc5
CACTVS 3.385	C[C@@H](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5ccccc5

Name:

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one

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).