BioLiP

PDB

BioLiP

PDB CCD ID:

ZFJ

Number of entries in BioLiP:

Chemical formula:

C22 H27 N

InChI:

InChI=1S/C22H27N/c1-6-9-16-10-12-18-19-13-11-17(23(7-2)8-3)15-21(19)22(4,5)20(18)14-16/h6,9-15H,7-8H2,1-5H3/b9-6+

InChIKey:

UMARKYXLRJLTSK-RMKNXTFCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1
CACTVS 3.385	CCN(CC)c1ccc2c3ccc(\C=C\C)cc3C(C)(C)c2c1
OpenEye OEToolkits 2.0.7	CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)(C)C
ACDLabs 12.01	CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)\C=C\C
OpenEye OEToolkits 2.0.7	CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C

Name:

(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine

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).