BioLiP

PDB

BioLiP

PDB CCD ID:

LDQ

Number of entries in BioLiP:

Chemical formula:

C15 H20 N2 O

InChI:

InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1

InChIKey:

PDPSDBUFNKLMBE-FPVNZWGXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1CC2C3C1C(CN2C)C4=CC=CC(=O)N4C3
CACTVS 3.385	C[CH]1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH]13
OpenEye OEToolkits 2.0.7	C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3
CACTVS 3.385	C[C@@H]1C[C@@H]2[C@H]3CN4C(=O)C=CC=C4[C@@H](CN2C)[C@@H]13

Name:

Hosieine

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).