BioLiP

PDB

BioLiP

PDB CCD ID:

E2L

Number of entries in BioLiP:

Chemical formula:

C20 H23 Cl N2 O

InChI:

InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1

InChIKey:

WQNGMCVEBYRHCN-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCCC4CCCNC4
CACTVS 3.385	Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4
CACTVS 3.385	Clc1ccc2Oc3ccccc3N(CCC[C@@H]4CCCNC4)c2c1

Name:

2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine

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).