BioLiP

PDB

BioLiP

PDB CCD ID:

E2C

Number of entries in BioLiP:

Chemical formula:

C21 H27 Cl N2 O

InChI:

InChI=1S/C21H27ClN2O/c1-3-23(4-2)14-8-5-9-15-24-18-10-6-7-11-20(18)25-21-13-12-17(22)16-19(21)24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3

InChIKey:

UVWATVYWPWOHHD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl
CACTVS 3.385	CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13

Name:

5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-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).